CID 4432057

1263276-30-7

Structural Information

Molecular Formula
C8H9ClN2O
SMILES
C1=CC(=CN=C1)CNC(=O)CCl
InChI
InChI=1S/C8H9ClN2O/c9-4-8(12)11-6-7-2-1-3-10-5-7/h1-3,5H,4,6H2,(H,11,12)
InChIKey
YYLQMWFEAAPVLT-UHFFFAOYSA-N
Compound name
2-chloro-N-(pyridin-3-ylmethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.04034 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.04762 136.3
[M+Na]+ 207.02956 144.1
[M-H]- 183.03306 138.3
[M+NH4]+ 202.07416 155.2
[M+K]+ 223.00350 140.6
[M+H-H2O]+ 167.03760 130.1
[M+HCOO]- 229.03854 155.7
[M+CH3COO]- 243.05419 180.9
[M+Na-2H]- 205.01501 143.7
[M]+ 184.03979 137.5
[M]- 184.04089 137.5
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

patents stripe