CID 129646631

Hydroxy nonadecenoic acid

Structural Information

Molecular Formula

C₁₉H₃₆O₃

SMILES

CCCCCCCCCCCCCCCCC=C(C(=O)O)O

InChI

InChI=1S/C19H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19(21)22/h17,20H,2-16H2,1H3,(H,21,22)

InChIKey

NUVFKWYOXGZLHE-UHFFFAOYSA-N

Compound name

2-hydroxynonadec-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 312.26645 Da
Monoisotopic Mass: 8.5
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]+	313.27373	184.2
[M+Na]+	335.25567	190.0
[M+NH4]+	330.30027	188.1
[M+K]+	351.22961	183.6
[M-H]-	311.25917	180.7
[M+Na-2H]-	333.24112	182.3
[M]+	312.26590	183.4
[M]-	312.26700	183.4

Literature stripe

literature stripe

Patent stripe

patents stripe