CID 545293

1-cyclopentyl-2,2-dimethyl-1-propanol

Structural Information

Molecular Formula

C₁₀H₂₀O

SMILES

CC(C)(C)C(C1CCCC1)O

InChI

InChI=1S/C10H20O/c1-10(2,3)9(11)8-6-4-5-7-8/h8-9,11H,4-7H2,1-3H3

InChIKey

BCTWRMZVIPKMLP-UHFFFAOYSA-N

Compound name

1-cyclopentyl-2,2-dimethylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 156.15141 Da
Monoisotopic Mass: 3.2
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]+	157.158686	139.5
[M+Na]+	179.140628	144.1
[M-H]-	155.144134	141.0
[M+NH4]+	174.185233	161.6
[M+K]+	195.114568	143.1
[M+H-H2O]+	139.148670	135.1
[M+HCOO]-	201.149611	157.6
[M+CH3COO]-	215.165261	175.1
[M+Na-2H]-	177.126076	141.8
[M]+	156.15086142	135.8
[M]-	156.15195858	135.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe