CID 146742084

3-(3-methylcyclopentyl)propan-1-ol

Structural Information

Molecular Formula

C₉H₁₈O

SMILES

CC1CCC(C1)CCCO

InChI

InChI=1S/C9H18O/c1-8-4-5-9(7-8)3-2-6-10/h8-10H,2-7H2,1H3

InChIKey

VSMWZUFETWHXQM-UHFFFAOYSA-N

Compound name

3-(3-methylcyclopentyl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 142.13577 Da
Monoisotopic Mass: 2.7
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]+	143.14305	133.3
[M+Na]+	165.12499	142.7
[M+NH4]+	160.16959	142.2
[M+K]+	181.09893	138.3
[M-H]-	141.12849	134.4
[M+Na-2H]-	163.11044	137.0
[M]+	142.13522	134.7
[M]-	142.13632	134.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe