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

4
Patents

135.04509 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.05237 125.8
[M+Na]+ 158.03431 135.9
[M+NH4]+ 153.07891 134.0
[M+K]+ 174.00825 130.9
[M-H]- 134.03781 125.5
[M+Na-2H]- 156.01976 129.7
[M]+ 135.04454 127.1
[M]- 135.04564 127.1
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