CID 5312704

14-pentadecynoic acid

Structural Information

Molecular Formula

C₁₅H₂₆O₂

SMILES

C#CCCCCCCCCCCCCC(=O)O

InChI

InChI=1S/C15H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h1H,3-14H2,(H,16,17)

InChIKey

XQWIFIPUVVRXNJ-UHFFFAOYSA-N

Compound name

pentadec-14-ynoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 238.19328 Da
Monoisotopic Mass: 4.8
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]+	239.20056	156.8
[M+Na]+	261.18250	162.8
[M-H]-	237.18600	154.1
[M+NH4]+	256.22710	172.1
[M+K]+	277.15644	159.1
[M+H-H2O]+	221.19054	145.3
[M+HCOO]-	283.19148	170.9
[M+CH3COO]-	297.20713	200.7
[M+Na-2H]-	259.16795	157.5
[M]+	238.19273	155.0
[M]-	238.19383	155.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe