CID 110789

4,4-dimethyl-2-pentanol

Structural Information

Molecular Formula

C₇H₁₆O

SMILES

CC(CC(C)(C)C)O

InChI

InChI=1S/C7H16O/c1-6(8)5-7(2,3)4/h6,8H,5H2,1-4H3

InChIKey

OIBKGNPMOMMSSI-UHFFFAOYSA-N

Compound name

4,4-dimethylpentan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1124
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	126.6
[M+Na]+	139.10934	136.4
[M+NH4]+	134.15394	134.6
[M+K]+	155.08328	132.0
[M-H]-	115.11284	125.4
[M+Na-2H]-	137.09479	130.0
[M]+	116.11957	127.5
[M]-	116.12067	127.5

Literature stripe

literature stripe

Patent stripe

patents stripe