CID 12331

5-methyl-1-hexanol

Structural Information

Molecular Formula

C₇H₁₆O

SMILES

CC(C)CCCCO

InChI

InChI=1S/C7H16O/c1-7(2)5-3-4-6-8/h7-8H,3-6H2,1-2H3

InChIKey

ZVHAANQOQZVVFD-UHFFFAOYSA-N

Compound name

5-methylhexan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 5284
Patents: 116.12012 Da
Monoisotopic Mass: 2.1
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]+	117.12740	126.2
[M+Na]+	139.10934	136.2
[M+NH4]+	134.15394	134.4
[M+K]+	155.08328	130.7
[M-H]-	115.11284	125.6
[M+Na-2H]-	137.09479	129.7
[M]+	116.11957	127.3
[M]-	116.12067	127.3

Literature stripe

literature stripe

Patent stripe

patents stripe