CID 6572

Lactonitrile

Structural Information

Molecular Formula

SMILES

CC(C#N)O

InChI

InChI=1S/C3H5NO/c1-3(5)2-4/h3,5H,1H3

InChIKey

WOFDVDFSGLBFAC-UHFFFAOYSA-N

Compound name

2-hydroxypropanenitrile

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 6
References: 5157
Patents: 71.03712 Da
Monoisotopic Mass: -0.3
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]+	72.044396	110.6
[M+Na]+	94.026338	120.2
[M-H]-	70.029844	110.8
[M+NH4]+	89.070943	132.1
[M+K]+	110.00028	120.5
[M+H-H2O]+	54.034380	100.5
[M+HCOO]-	116.03532	129.9
[M+CH3COO]-	130.05097	174.0
[M+Na-2H]-	92.011786	117.5
[M]+	71.036571	104.9
[M]-	71.037669	104.9

Literature stripe

literature stripe

Patent stripe

patents stripe