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
1
Annotation Hits

0
References

333
Patents

366.277 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.28428 198.7
[M+Na]+ 389.26622 199.7
[M-H]- 365.26972 194.8
[M+NH4]+ 384.31082 200.2
[M+K]+ 405.24016 194.9
[M+H-H2O]+ 349.27426 191.4
[M+HCOO]- 411.27520 210.7
[M+CH3COO]- 425.29085 216.5
[M+Na-2H]- 387.25167 194.5
[M]+ 366.27645 205.6
[M]- 366.27755 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