CID 5312783

Hydroxynervonic acid

Structural Information

Molecular Formula
C24H46O3
SMILES
CCCCCCCC/C=C\CCCCCCCCCCCCC(C(=O)O)O
InChI
InChI=1S/C24H46O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(25)24(26)27/h9-10,23,25H,2-8,11-22H2,1H3,(H,26,27)/b10-9-
InChIKey
UFOOFOUFKSIFCD-KTKRTIGZSA-N
Compound name
(Z)-2-hydroxytetracos-15-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

286
Patents

382.3447 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.35198 208.1
[M+Na]+ 405.33392 207.1
[M-H]- 381.33742 202.2
[M+NH4]+ 400.37852 205.5
[M+K]+ 421.30786 201.6
[M+H-H2O]+ 365.34196 200.6
[M+HCOO]- 427.34290 222.0
[M+CH3COO]- 441.35855 220.8
[M+Na-2H]- 403.31937 202.2
[M]+ 382.34415 213.9
[M]- 382.34525 213.9
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