CID 87065709

Schembl94017

Structural Information

Molecular Formula

C₂₄H₄₆O₂

SMILES

CCCCCCCCCCCCCC/C=C\CCCCCCCC(=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/h15-16H,2-14,17-23H2,1H3,(H,25,26)/b16-15-

InChIKey

QZAGJKGVUDKAER-NXVVXOECSA-N

Compound name

(Z)-tetracos-9-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1092
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	204.3
[M+Na]+	389.33902	204.0
[M-H]-	365.34252	199.8
[M+NH4]+	384.38362	216.2
[M+K]+	405.31296	198.3
[M+H-H2O]+	349.34706	196.7
[M+HCOO]-	411.34800	220.5
[M+CH3COO]-	425.36365	220.8
[M+Na-2H]-	387.32447	200.0
[M]+	366.34925	211.2
[M]-	366.35035	211.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe