CID 6436905

Monostearyl maleate

Structural Information

Molecular Formula
C22H40O4
SMILES
CCCCCCCCCCCCCCCCCCOC(=O)/C=C\C(=O)O
InChI
InChI=1S/C22H40O4/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/h18-19H,2-17,20H2,1H3,(H,23,24)/b19-18-
InChIKey
MHQJUHSHQGQVTM-HNENSFHCSA-N
Compound name
(Z)-4-octadecoxy-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

33
References

43642
Patents

368.29266 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.29994 198.4
[M+Na]+ 391.28188 203.7
[M+NH4]+ 386.32648 205.4
[M+K]+ 407.25582 196.8
[M-H]- 367.28538 194.5
[M+Na-2H]- 389.26733 195.9
[M]+ 368.29211 197.4
[M]- 368.29321 197.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe