CID 19800

2-butyl-1-octanol

Structural Information

Molecular Formula

C₁₂H₂₆O

SMILES

CCCCCCC(CCCC)CO

InChI

InChI=1S/C12H26O/c1-3-5-7-8-10-12(11-13)9-6-4-2/h12-13H,3-11H2,1-2H3

InChIKey

XMVBHZBLHNOQON-UHFFFAOYSA-N

Compound name

2-butyloctan-1-ol

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 3
References: 19202
Patents: 186.19836 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]+	187.20564	148.4
[M+Na]+	209.18758	157.5
[M+NH4]+	204.23218	155.8
[M+K]+	225.16152	150.7
[M-H]-	185.19108	147.7
[M+Na-2H]-	207.17303	150.6
[M]+	186.19781	149.3
[M]-	186.19891	149.3

Literature stripe

literature stripe

Patent stripe

patents stripe