CID 15040338

N-methyl-n-propylcarbamoyl chloride

Structural Information

Molecular Formula
C5H10ClNO
SMILES
CCCN(C)C(=O)Cl
InChI
InChI=1S/C5H10ClNO/c1-3-4-7(2)5(6)8/h3-4H2,1-2H3
InChIKey
YEMRRHHMLASGRQ-UHFFFAOYSA-N
Compound name
N-methyl-N-propylcarbamoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

151
Patents

135.04509 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.052366 126.0
[M+Na]+ 158.034308 133.9
[M-H]- 134.037814 127.9
[M+NH4]+ 153.078913 149.2
[M+K]+ 174.008248 133.4
[M+H-H2O]+ 118.042350 122.3
[M+HCOO]- 180.043291 146.6
[M+CH3COO]- 194.058941 177.6
[M+Na-2H]- 156.019756 131.4
[M]+ 135.04454142 129.2
[M]- 135.04563858 129.2
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