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 126.7
[M+Na]+ 158.03431 134.2
[M-H]- 134.03781 127.2
[M+NH4]+ 153.07891 149.2
[M+K]+ 174.00825 132.7
[M+H-H2O]+ 118.04235 123.3
[M+HCOO]- 180.04329 145.9
[M+CH3COO]- 194.05894 174.9
[M+Na-2H]- 156.01976 131.6
[M]+ 135.04454 128.0
[M]- 135.04564 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