CID 11752

2,4-dimethyl-3-pentanol

Structural Information

Molecular Formula

C₇H₁₆O

SMILES

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

InChI

InChI=1S/C7H16O/c1-5(2)7(8)6(3)4/h5-8H,1-4H3

InChIKey

BAYAKMPRFGNNFW-UHFFFAOYSA-N

Compound name

2,4-dimethylpentan-3-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 8
References: 3014
Patents: 116.12012 Da
Monoisotopic Mass: 2.3
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	127.0
[M+Na]+	139.10934	136.3
[M+NH4]+	134.15394	135.0
[M+K]+	155.08328	132.4
[M-H]-	115.11284	126.0
[M+Na-2H]-	137.09479	129.7
[M]+	116.11957	127.8
[M]-	116.12067	127.8

Literature stripe

literature stripe

Patent stripe

patents stripe