CID 16203516

5524-30-1

Structural Information

Molecular Formula

C₄H₅ClN₂O

SMILES

CN(CC#N)C(=O)Cl

InChI

InChI=1S/C4H5ClN2O/c1-7(3-2-6)4(5)8/h3H2,1H3

InChIKey

KKLOBNYTSKNJQI-UHFFFAOYSA-N

Compound name

N-(cyanomethyl)-N-methylcarbamoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 132.00903 Da
Monoisotopic Mass: 0.6
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]+	133.01631	123.1
[M+Na]+	154.99825	133.3
[M+NH4]+	150.04285	127.9
[M+K]+	170.97219	125.6
[M-H]-	131.00175	116.2
[M+Na-2H]-	152.98370	125.5
[M]+	132.00848	121.8
[M]-	132.00958	121.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe