CID 14921561

N-acetyl-n-methylcarbamoyl chloride

Structural Information

Molecular Formula
C4H6ClNO2
SMILES
CC(=O)N(C)C(=O)Cl
InChI
InChI=1S/C4H6ClNO2/c1-3(7)6(2)4(5)8/h1-2H3
InChIKey
XHLLMVSEBKZODD-UHFFFAOYSA-N
Compound name
N-acetyl-N-methylcarbamoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

135.00871 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.01599 122.4
[M+Na]+ 157.99793 130.8
[M-H]- 134.00143 124.7
[M+NH4]+ 153.04253 145.5
[M+K]+ 173.97187 130.9
[M+H-H2O]+ 118.00597 118.9
[M+HCOO]- 180.00691 142.9
[M+CH3COO]- 194.02256 175.8
[M+Na-2H]- 155.98338 127.2
[M]+ 135.00816 125.3
[M]- 135.00926 125.3
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