CID 5282775

Ximenic acid

Structural Information

Molecular Formula
C26H50O2
SMILES
CCCCCCCC/C=C\CCCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C26H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28/h9-10H,2-8,11-25H2,1H3,(H,27,28)/b10-9-
InChIKey
RQIDQEBURXNDKG-KTKRTIGZSA-N
Compound name
(Z)-hexacos-17-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

988
Patents

394.38107 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.38835 211.1
[M+Na]+ 417.37029 216.8
[M+NH4]+ 412.41489 214.1
[M+K]+ 433.34423 207.1
[M-H]- 393.37379 208.6
[M+Na-2H]- 415.35574 208.9
[M]+ 394.38052 210.7
[M]- 394.38162 210.7
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