CID 157754

81328-62-3

Structural Information

Molecular Formula

C₇H₁₂O

SMILES

CC1=C(CCC1)CO

InChI

InChI=1S/C7H12O/c1-6-3-2-4-7(6)5-8/h8H,2-5H2,1H3

InChIKey

PQZJWHWAQRLZFE-UHFFFAOYSA-N

Compound name

(2-methylcyclopenten-1-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 112.08881 Da
Monoisotopic Mass: 0.5
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]+	113.096086	122.5
[M+Na]+	135.078028	130.2
[M-H]-	111.081534	124.9
[M+NH4]+	130.122633	146.6
[M+K]+	151.051968	128.9
[M+H-H2O]+	95.086070	118.1
[M+HCOO]-	157.087011	145.7
[M+CH3COO]-	171.102661	166.3
[M+Na-2H]-	133.063476	127.4
[M]+	112.08826142	120.8
[M]-	112.08935858	120.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe