CID 20065

2-chloro-n-methyl-3-oxobutanamide

Structural Information

Molecular Formula
C5H8ClNO2
SMILES
CC(=O)C(C(=O)NC)Cl
InChI
InChI=1S/C5H8ClNO2/c1-3(8)4(6)5(9)7-2/h4H,1-2H3,(H,7,9)
InChIKey
XIWMZCRVSYHMER-UHFFFAOYSA-N
Compound name
2-chloro-N-methyl-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

91
Patents

149.02435 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.03163 127.8
[M+Na]+ 172.01357 135.4
[M-H]- 148.01707 128.5
[M+NH4]+ 167.05817 149.6
[M+K]+ 187.98751 134.2
[M+H-H2O]+ 132.02161 124.4
[M+HCOO]- 194.02255 146.5
[M+CH3COO]- 208.03820 176.8
[M+Na-2H]- 169.99902 131.5
[M]+ 149.02380 129.2
[M]- 149.02490 129.2
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