CID 6913407

(z)-9-octadecenyl hydrogen maleate

Structural Information

Molecular Formula
C22H38O4
SMILES
CCCCCCCC/C=C\CCCCCCCCOC(=O)/C=C\C(=O)O
InChI
InChI=1S/C22H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-22(25)19-18-21(23)24/h9-10,18-19H,2-8,11-17,20H2,1H3,(H,23,24)/b10-9-,19-18-
InChIKey
WLYVBDOFKMGCBL-DEXHTJMYSA-N
Compound name
(Z)-4-[(Z)-octadec-9-enoxy]-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

345
Patents

366.277 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.284276 198.7
[M+Na]+ 389.266218 199.7
[M-H]- 365.269724 194.8
[M+NH4]+ 384.310823 200.2
[M+K]+ 405.240158 194.9
[M+H-H2O]+ 349.274260 191.4
[M+HCOO]- 411.275201 210.7
[M+CH3COO]- 425.290851 216.5
[M+Na-2H]- 387.251666 194.5
[M]+ 366.27645142 205.6
[M]- 366.27754858 205.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe