CID 47073

N-(2-chloroethyl)-n-nitrosoacetamide

Structural Information

Molecular Formula
C4H7ClN2O2
SMILES
CC(=O)N(CCCl)N=O
InChI
InChI=1S/C4H7ClN2O2/c1-4(8)7(6-9)3-2-5/h2-3H2,1H3
InChIKey
HPVMVBSBKXPUMG-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-N-nitrosoacetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

18
References

8
Patents

150.0196 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.02688 127.0
[M+Na]+ 173.00882 135.0
[M-H]- 149.01232 130.4
[M+NH4]+ 168.05342 149.7
[M+K]+ 188.98276 135.5
[M+H-H2O]+ 133.01686 122.5
[M+HCOO]- 195.01780 150.8
[M+CH3COO]- 209.03345 183.1
[M+Na-2H]- 170.99427 133.6
[M]+ 150.01905 131.7
[M]- 150.02015 131.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe