CID 55300860

N-(cyclopropylmethyl)carbamoyl chloride

Structural Information

Molecular Formula
C5H8ClNO
SMILES
C1CC1CNC(=O)Cl
InChI
InChI=1S/C5H8ClNO/c6-5(8)7-3-4-1-2-4/h4H,1-3H2,(H,7,8)
InChIKey
BRDSJJRTFLIQKW-UHFFFAOYSA-N
Compound name
N-(cyclopropylmethyl)carbamoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

133.02943 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.036706 122.9
[M+Na]+ 156.018648 132.2
[M-H]- 132.022154 127.5
[M+NH4]+ 151.063253 140.4
[M+K]+ 171.992588 129.1
[M+H-H2O]+ 116.026690 118.1
[M+HCOO]- 178.027631 143.4
[M+CH3COO]- 192.043281 176.1
[M+Na-2H]- 154.004096 129.7
[M]+ 133.02888142 125.9
[M]- 133.02997858 125.9
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

No patent data available for this compound.