CID 2723755

3-methoxy-2-propenenitrile

Structural Information

Molecular Formula

SMILES

COC=CC#N

InChI

InChI=1S/C4H5NO/c1-6-4-2-3-5/h2,4H,1H3

InChIKey

IPCRTSDORDQHRO-UHFFFAOYSA-N

Compound name

3-methoxyprop-2-enenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 812
Patents: 83.03712 Da
Monoisotopic Mass: 0.2
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]+	84.044396	111.5
[M+Na]+	106.02634	121.7
[M-H]-	82.029844	112.9
[M+NH4]+	101.07094	133.3
[M+K]+	122.00028	121.6
[M+H-H2O]+	66.034380	101.1
[M+HCOO]-	128.03532	133.0
[M+CH3COO]-	142.05097	177.0
[M+Na-2H]-	104.01179	119.7
[M]+	83.036571	107.9
[M]-	83.037669	107.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe