CID 52048

73664-37-6

Structural Information

Molecular Formula
C9H11ClN2O
SMILES
C1=CC=NC(=C1)CCNC(=O)CCl
InChI
InChI=1S/C9H11ClN2O/c10-7-9(13)12-6-4-8-3-1-2-5-11-8/h1-3,5H,4,6-7H2,(H,12,13)
InChIKey
ZQWQQARUJAXJPW-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-pyridin-2-ylethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

198.05598 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.06326 140.9
[M+Na]+ 221.04520 153.4
[M+NH4]+ 216.08980 149.0
[M+K]+ 237.01914 146.3
[M-H]- 197.04870 142.7
[M+Na-2H]- 219.03065 148.1
[M]+ 198.05543 143.3
[M]- 198.05653 143.3
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

No patent data available for this compound.