CID 9813352

2-butyldecanoic acid

Structural Information

Molecular Formula

C₁₄H₂₈O₂

SMILES

CCCCCCCCC(CCCC)C(=O)O

InChI

InChI=1S/C14H28O2/c1-3-5-7-8-9-10-12-13(14(15)16)11-6-4-2/h13H,3-12H2,1-2H3,(H,15,16)

InChIKey

AVZVXSXEVJTJAB-UHFFFAOYSA-N

Compound name

2-butyldecanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 476
Patents: 228.20892 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]+	229.21620	159.8
[M+Na]+	251.19814	167.6
[M+NH4]+	246.24274	165.8
[M+K]+	267.17208	161.6
[M-H]-	227.20164	157.9
[M+Na-2H]-	249.18359	160.4
[M]+	228.20837	160.0
[M]-	228.20947	160.0

Literature stripe

literature stripe

Patent stripe

patents stripe