PubChemLite - Dimethylspiro[1,3-dioxolane-4,[?]-[?]] (C22H34O4)

Structural Information

Molecular Formula

SMILES

C[C@]12CC[C@@H]3[C@]([C@@H]1CC[C@@H]4C25CCC6(COCO6)[C@H](C4)C5)(COCO3)C

InChI

InChI=1S/C22H34O4/c1-19-11-23-13-25-18(19)5-6-20(2)17(19)4-3-15-9-16-10-21(15,20)7-8-22(16)12-24-14-26-22/h15-18H,3-14H2,1-2H3/t15-,16+,17-,18+,19-,20-,21?,22?/m0/s1

InChIKey

JDLMTCXAVFOQEA-SZGYSPSWSA-N

Compound name

(2'S,5'R,10'R,11'R,14'S,16'R)-2',10'-dimethylspiro[1,3-dioxolane-4,17'-6,8-dioxapentacyclo[14.3.1.01,14.02,11.05,10]icosane]

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	363.25298	181.4
[M+Na]+	385.23492	185.3
[M-H]-	361.23842	188.7
[M+NH4]+	380.27952	202.8
[M+K]+	401.20886	184.2
[M+H-H2O]+	345.24296	173.6
[M+HCOO]-	407.24390	182.5
[M+CH3COO]-	421.25955	189.3
[M+Na-2H]-	383.22037	183.2
[M]+	362.24515	175.2
[M]-	362.24625	175.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

363.25298

181.4

[M+Na]+

385.23492

185.3

[M-H]-

361.23842

188.7

[M+NH4]+

380.27952

202.8

[M+K]+

401.20886

184.2

[M+H-H2O]+

345.24296

173.6

[M+HCOO]-

407.24390

182.5

[M+CH3COO]-

421.25955

189.3

[M+Na-2H]-

383.22037

183.2

[M]+

362.24515

175.2

[M]-

362.24625

175.2

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Dimethylspiro[1,3-dioxolane-4,[?]-[?]]

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe