CID 317678

2-(1-methylcyclopropyl)ethan-1-ol

Structural Information

Molecular Formula

C₆H₁₂O

SMILES

CC1(CC1)CCO

InChI

InChI=1S/C6H12O/c1-6(2-3-6)4-5-7/h7H,2-5H2,1H3

InChIKey

FDVDMIVJLUCMSF-UHFFFAOYSA-N

Compound name

2-(1-methylcyclopropyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 122
Patents: 100.08881 Da
Monoisotopic Mass: 1.4
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	120.4
[M+Na]+	123.078028	129.9
[M-H]-	99.081534	124.3
[M+NH4]+	118.122633	140.2
[M+K]+	139.051968	129.0
[M+H-H2O]+	83.086070	116.5
[M+HCOO]-	145.087011	143.1
[M+CH3COO]-	159.102661	168.5
[M+Na-2H]-	121.063476	128.8
[M]+	100.08826142	122.9
[M]-	100.08935858	122.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe