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

16
Patents

150.0196 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.026876 128.7
[M+Na]+ 173.008818 136.0
[M-H]- 149.012324 128.8
[M+NH4]+ 168.053423 149.8
[M+K]+ 188.982758 134.2
[M+H-H2O]+ 133.016860 124.7
[M+HCOO]- 195.017801 149.0
[M+CH3COO]- 209.033451 176.5
[M+Na-2H]- 170.994266 133.0
[M]+ 150.01905142 128.4
[M]- 150.02014858 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