CID 20034385

N-(1-chloropropan-2-yl)acetamide

Structural Information

Molecular Formula
C5H10ClNO
SMILES
CC(CCl)NC(=O)C
InChI
InChI=1S/C5H10ClNO/c1-4(3-6)7-5(2)8/h4H,3H2,1-2H3,(H,7,8)
InChIKey
ANLUXOVOERTUOI-UHFFFAOYSA-N
Compound name
N-(1-chloropropan-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

135.04509 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.052366 126.7
[M+Na]+ 158.034308 134.2
[M-H]- 134.037814 127.2
[M+NH4]+ 153.078913 149.2
[M+K]+ 174.008248 132.7
[M+H-H2O]+ 118.042350 123.3
[M+HCOO]- 180.043291 145.9
[M+CH3COO]- 194.058941 174.9
[M+Na-2H]- 156.019756 131.6
[M]+ 135.04454142 128.0
[M]- 135.04563858 128.0
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