CID 19067681

N-cyclopropylcarbamoyl chloride

Structural Information

Molecular Formula
C4H6ClNO
SMILES
C1CC1NC(=O)Cl
InChI
InChI=1S/C4H6ClNO/c5-4(7)6-3-1-2-3/h3H,1-2H2,(H,6,7)
InChIKey
IPESDCXPCKZBKR-UHFFFAOYSA-N
Compound name
N-cyclopropylcarbamoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

119.013794 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.02107 118.6
[M+Na]+ 142.00301 128.3
[M-H]- 118.00652 123.3
[M+NH4]+ 137.04762 136.6
[M+K]+ 157.97695 125.4
[M+H-H2O]+ 102.01105 114.0
[M+HCOO]- 164.01200 139.4
[M+CH3COO]- 178.02764 173.2
[M+Na-2H]- 139.98846 125.9
[M]+ 119.01325 121.2
[M]- 119.01434 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