CID 5282735

2-tridecenoic acid

Structural Information

Molecular Formula

C₁₃H₂₄O₂

SMILES

CCCCCCCCCC/C=C/C(=O)O

InChI

InChI=1S/C13H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h11-12H,2-10H2,1H3,(H,14,15)/b12-11+

InChIKey

GQVYBECSNBLQJV-VAWYXSNFSA-N

Compound name

(E)-tridec-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1826
Patents: 212.17763 Da
Monoisotopic Mass: 5.4
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]+	213.18491	154.6
[M+Na]+	235.16685	163.0
[M+NH4]+	230.21145	160.6
[M+K]+	251.14079	156.3
[M-H]-	211.17035	152.7
[M+Na-2H]-	233.15230	155.8
[M]+	212.17708	154.8
[M]-	212.17818	154.8

Literature stripe

literature stripe

Patent stripe

patents stripe