CID 141829

2-methoxypropanenitrile

Structural Information

Molecular Formula

SMILES

CC(C#N)OC

InChI

InChI=1S/C4H7NO/c1-4(3-5)6-2/h4H,1-2H3

InChIKey

SFPQDYSOPQHZAQ-UHFFFAOYSA-N

Compound name

2-methoxypropanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5488
Patents: 85.052765 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]+	86.060041	112.8
[M+Na]+	108.04198	122.4
[M-H]-	84.045489	114.1
[M+NH4]+	103.08659	134.5
[M+K]+	124.01592	123.3
[M+H-H2O]+	68.050025	102.3
[M+HCOO]-	130.05097	133.2
[M+CH3COO]-	144.06662	179.2
[M+Na-2H]-	106.02743	119.8
[M]+	85.052216	109.2
[M]-	85.053314	109.2

Literature stripe

literature stripe

Patent stripe

patents stripe