CID 12937417

N-(aminocarbonyl)-3-chloropropanamide

Structural Information

Molecular Formula
C4H7ClN2O2
SMILES
C(CCl)C(=O)NC(=O)N
InChI
InChI=1S/C4H7ClN2O2/c5-2-1-3(8)7-4(6)9/h1-2H2,(H3,6,7,8,9)
InChIKey
HRYUUBFCDGPNLW-UHFFFAOYSA-N
Compound name
N-carbamoyl-3-chloropropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

150.0196 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.02688 128.7
[M+Na]+ 173.00882 136.0
[M-H]- 149.01232 128.8
[M+NH4]+ 168.05342 149.8
[M+K]+ 188.98276 134.2
[M+H-H2O]+ 133.01686 124.7
[M+HCOO]- 195.01780 149.0
[M+CH3COO]- 209.03345 176.5
[M+Na-2H]- 170.99427 133.0
[M]+ 150.01905 128.4
[M]- 150.02015 128.4
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