CID 5281120

Nervonic acid

Structural Information

Molecular Formula

C₂₄H₄₆O₂

SMILES

CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O

InChI

InChI=1S/C24H46O2/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/h9-10H,2-8,11-23H2,1H3,(H,25,26)/b10-9-

InChIKey

GWHCXVQVJPWHRF-KTKRTIGZSA-N

Compound name

(Z)-tetracos-15-enoic acid

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 103
References: 16824
Patents: 366.3498 Da
Monoisotopic Mass: 9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	367.35708	202.5
[M+Na]+	389.33902	208.6
[M+NH4]+	384.38362	206.6
[M+K]+	405.31296	199.4
[M-H]-	365.34252	200.1
[M+Na-2H]-	387.32447	200.8
[M]+	366.34925	202.2
[M]-	366.35035	202.2

Literature stripe

literature stripe

Patent stripe

patents stripe