CID 16203516

N-(cyanomethyl)-n-methylcarbamoyl chloride

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

9
Patents

132.00903 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.01631 123.6
[M+Na]+ 154.99825 133.6
[M-H]- 131.00175 126.0
[M+NH4]+ 150.04285 144.5
[M+K]+ 170.97219 132.9
[M+H-H2O]+ 115.00629 113.3
[M+HCOO]- 177.00723 141.3
[M+CH3COO]- 191.02288 188.6
[M+Na-2H]- 152.98370 129.3
[M]+ 132.00848 121.2
[M]- 132.00958 121.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe