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

92
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 122.0
[M+Na]+ 144.01866 129.9
[M-H]- 120.02216 122.7
[M+NH4]+ 139.06326 145.0
[M+K]+ 159.99260 128.7
[M+H-H2O]+ 104.02670 118.7
[M+HCOO]- 166.02764 141.4
[M+CH3COO]- 180.04329 171.9
[M+Na-2H]- 142.00411 127.4
[M]+ 121.02889 122.9
[M]- 121.02999 122.9
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