PubChemLite - Citreoviridin d (C24H32O6)

Structural Information

Molecular Formula

SMILES

CC1C(C(C(O1)(C)/C=C(\C)/C=C\C=C\C=C/C2=C(C(=C(C(=O)O2)C)OC)C)O)(C)O

InChI

InChI=1S/C24H32O6/c1-15(14-23(5)22(26)24(6,27)18(4)30-23)12-10-8-9-11-13-19-16(2)20(28-7)17(3)21(25)29-19/h8-14,18,22,26-27H,1-7H3/b9-8+,12-10-,13-11-,15-14+

InChIKey

WQOZGNFAVRFSGE-ULPXYLRASA-N

Compound name

6-[(1Z,3E,5Z,7E)-8-(3,4-dihydroxy-2,4,5-trimethyloxolan-2-yl)-7-methylocta-1,3,5,7-tetraenyl]-4-methoxy-3,5-dimethylpyran-2-one

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]+	417.22716	194.2
[M+Na]+	439.20910	202.9
[M-H]-	415.21260	200.2
[M+NH4]+	434.25370	207.8
[M+K]+	455.18304	199.5
[M+H-H2O]+	399.21714	190.6
[M+HCOO]-	461.21808	209.4
[M+CH3COO]-	475.23373	223.5
[M+Na-2H]-	437.19455	192.2
[M]+	416.21933	200.5
[M]-	416.22043	200.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

417.22716

194.2

[M+Na]+

439.20910

202.9

[M-H]-

415.21260

200.2

[M+NH4]+

434.25370

207.8

[M+K]+

455.18304

199.5

[M+H-H2O]+

399.21714

190.6

[M+HCOO]-

461.21808

209.4

[M+CH3COO]-

475.23373

223.5

[M+Na-2H]-

437.19455

192.2

[M]+

416.21933

200.5

[M]-

416.22043

200.5

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

Citreoviridin d

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe