PubChemLite - Psf-a (C23H28O10)

Structural Information

Molecular Formula

SMILES

CC1C(O1)(C)C(=O)OC2C3C(C4C(O4)(CC/C=C(/C2OC(=O)C)\C(=O)OC)C)OC(=O)C3=C

InChI

InChI=1S/C23H28O10/c1-10-14-16(31-21(27)23(5)11(2)32-23)15(29-12(3)24)13(20(26)28-6)8-7-9-22(4)18(33-22)17(14)30-19(10)25/h8,11,14-18H,1,7,9H2,2-6H3/b13-8-

InChIKey

VCBNPTWPJQLHQN-JYRVWZFOSA-N

Compound name

methyl (7Z)-9-acetyloxy-10-(2,3-dimethyloxirane-2-carbonyl)oxy-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-ene-8-carboxylate

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]+	465.17552	192.2
[M+Na]+	487.15746	199.0
[M-H]-	463.16096	199.7
[M+NH4]+	482.20206	192.4
[M+K]+	503.13140	203.5
[M+H-H2O]+	447.16550	195.4
[M+HCOO]-	509.16644	198.0
[M+CH3COO]-	523.18209	236.3
[M+Na-2H]-	485.14291	191.0
[M]+	464.16769	204.8
[M]-	464.16879	204.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

465.17552

192.2

[M+Na]+

487.15746

199.0

[M-H]-

463.16096

199.7

[M+NH4]+

482.20206

192.4

[M+K]+

503.13140

203.5

[M+H-H2O]+

447.16550

195.4

[M+HCOO]-

509.16644

198.0

[M+CH3COO]-

523.18209

236.3

[M+Na-2H]-

485.14291

191.0

[M]+

464.16769

204.8

[M]-

464.16879

204.8

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

Psf-a

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe