CID 14870193

2-chloro-n-methylpropanamide

Structural Information

Molecular Formula
C4H8ClNO
SMILES
CC(C(=O)NC)Cl
InChI
InChI=1S/C4H8ClNO/c1-3(5)4(7)6-2/h3H,1-2H3,(H,6,7)
InChIKey
NKUQJMNRULPRAM-UHFFFAOYSA-N
Compound name
2-chloro-N-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

60
Patents

121.02944 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.03672 121.3
[M+Na]+ 144.01866 131.7
[M+NH4]+ 139.06326 129.7
[M+K]+ 159.99260 126.8
[M-H]- 120.02216 121.1
[M+Na-2H]- 142.00411 125.5
[M]+ 121.02889 122.7
[M]- 121.02999 122.7
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