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]+ 199.063256 140.9
[M+Na]+ 221.045198 148.3
[M-H]- 197.048704 142.7
[M+NH4]+ 216.089803 159.3
[M+K]+ 237.019138 144.6
[M+H-H2O]+ 181.053240 134.6
[M+HCOO]- 243.054181 160.0
[M+CH3COO]- 257.069831 183.9
[M+Na-2H]- 219.030646 147.8
[M]+ 198.05543142 142.5
[M]- 198.05652858 142.5
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.