CID 65037

Tuberculostearic acid

Structural Information

Molecular Formula

C₁₉H₃₈O₂

SMILES

CCCCCCCCC(C)CCCCCCCCC(=O)O

InChI

InChI=1S/C19H38O2/c1-3-4-5-6-9-12-15-18(2)16-13-10-7-8-11-14-17-19(20)21/h18H,3-17H2,1-2H3,(H,20,21)

InChIKey

BEOUGZFCUMNGOU-UHFFFAOYSA-N

Compound name

10-methyloctadecanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 83
References: 2050
Patents: 298.28717 Da
Monoisotopic Mass: 7.7
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]+	299.29445	181.6
[M+Na]+	321.27639	188.4
[M+NH4]+	316.32099	186.8
[M+K]+	337.25033	181.3
[M-H]-	297.27989	179.5
[M+Na-2H]-	319.26184	181.0
[M]+	298.28662	181.6
[M]-	298.28772	181.6

Literature stripe

literature stripe

Patent stripe

patents stripe