CID 132513374

En300-26983799

Structural Information

Molecular Formula

C₄H₆N₂O₂

SMILES

CN(C(=O)C#N)OC

InChI

InChI=1S/C4H6N2O2/c1-6(8-2)4(7)3-5/h1-2H3

InChIKey

JCJWVJHINPTIMI-UHFFFAOYSA-N

Compound name

1-cyano-N-methoxy-N-methylformamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 114.04293 Da
Monoisotopic Mass: -0.1
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]+	115.05021	119.7
[M+Na]+	137.03215	128.7
[M-H]-	113.03565	122.1
[M+NH4]+	132.07675	140.4
[M+K]+	153.00609	130.8
[M+H-H2O]+	97.040190	108.2
[M+HCOO]-	159.04113	141.7
[M+CH3COO]-	173.05678	187.0
[M+Na-2H]-	135.01760	125.9
[M]+	114.04238	116.9
[M]-	114.04348	116.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.