CID 3351014

3-ethyl-2,2-dimethyl-3-pentanol

Structural Information

Molecular Formula

C₉H₂₀O

SMILES

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

InChI

InChI=1S/C9H20O/c1-6-9(10,7-2)8(3,4)5/h10H,6-7H2,1-5H3

InChIKey

CFWIFHZJKFFDFU-UHFFFAOYSA-N

Compound name

3-ethyl-2,2-dimethylpentan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 365
Patents: 144.15141 Da
Monoisotopic Mass: 2.9
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]+	145.15869	135.5
[M+Na]+	167.14063	142.1
[M-H]-	143.14413	134.6
[M+NH4]+	162.18523	157.0
[M+K]+	183.11457	141.6
[M+H-H2O]+	127.14867	132.3
[M+HCOO]-	189.14961	154.0
[M+CH3COO]-	203.16526	175.7
[M+Na-2H]-	165.12608	142.0
[M]+	144.15086	136.4
[M]-	144.15196	136.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.