CID 86785

3-methylcyclopentanol

Structural Information

Molecular Formula

C₆H₁₂O

SMILES

CC1CCC(C1)O

InChI

InChI=1S/C6H12O/c1-5-2-3-6(7)4-5/h5-7H,2-4H2,1H3

InChIKey

VEALHWXMCIRWGC-UHFFFAOYSA-N

Compound name

3-methylcyclopentan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1370
Patents: 100.08881 Da
Monoisotopic Mass: 1.2
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]+	101.096086	120.1
[M+Na]+	123.078028	127.2
[M-H]-	99.081534	122.3
[M+NH4]+	118.122633	144.6
[M+K]+	139.051968	126.3
[M+H-H2O]+	83.086070	115.9
[M+HCOO]-	145.087011	142.1
[M+CH3COO]-	159.102661	163.6
[M+Na-2H]-	121.063476	124.5
[M]+	100.08826142	116.6
[M]-	100.08935858	116.6

Literature stripe

literature stripe

Patent stripe

patents stripe