CID 71976

Palmoxiric acid

Structural Information

Molecular Formula

C₁₇H₃₂O₃

SMILES

CCCCCCCCCCCCCCC1(CO1)C(=O)O

InChI

InChI=1S/C17H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(15-20-17)16(18)19/h2-15H2,1H3,(H,18,19)

InChIKey

FGIJQXGDQVNWKH-UHFFFAOYSA-N

Compound name

2-tetradecyloxirane-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 82
References: 209
Patents: 284.23514 Da
Monoisotopic Mass: 6.5
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]+	285.24242	169.9
[M+Na]+	307.22436	179.4
[M+NH4]+	302.26896	177.6
[M+K]+	323.19830	173.1
[M-H]-	283.22786	177.4
[M+Na-2H]-	305.20981	175.2
[M]+	284.23459	174.5
[M]-	284.23569	174.5

Literature stripe

literature stripe

Patent stripe

patents stripe