CID 12869962

2-(cyclopent-1-en-1-yl)ethan-1-ol

Structural Information

Molecular Formula

C₇H₁₂O

SMILES

C1CC=C(C1)CCO

InChI

InChI=1S/C7H12O/c8-6-5-7-3-1-2-4-7/h3,8H,1-2,4-6H2

InChIKey

PITACPQSQRHIGV-UHFFFAOYSA-N

Compound name

2-(cyclopenten-1-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 22
Patents: 112.08881 Da
Monoisotopic Mass: 1.0
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	123.3
[M+Na]+	135.078028	130.0
[M-H]-	111.081534	125.2
[M+NH4]+	130.122633	147.0
[M+K]+	151.051968	128.7
[M+H-H2O]+	95.086070	118.5
[M+HCOO]-	157.087011	146.4
[M+CH3COO]-	171.102661	165.2
[M+Na-2H]-	133.063476	128.8
[M]+	112.08826142	121.2
[M]-	112.08935858	121.2

Literature stripe

literature stripe

Patent stripe

patents stripe