CID 2497484

125879-78-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

184.04034 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.047616 136.3
[M+Na]+ 207.029558 144.1
[M-H]- 183.033064 138.3
[M+NH4]+ 202.074163 155.2
[M+K]+ 223.003498 140.6
[M+H-H2O]+ 167.037600 130.1
[M+HCOO]- 229.038541 155.7
[M+CH3COO]- 243.054191 180.9
[M+Na-2H]- 205.015006 143.7
[M]+ 184.03979142 137.5
[M]- 184.04088858 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