CID 23367277

2-chloro-5-formylaminomethylpyridine

Structural Information

Molecular Formula

C₇H₇ClN₂O

SMILES

C1=CC(=NC=C1CNC=O)Cl

InChI

InChI=1S/C7H7ClN2O/c8-7-2-1-6(4-10-7)3-9-5-11/h1-2,4-5H,3H2,(H,9,11)

InChIKey

DPFJSSDKNZREPF-UHFFFAOYSA-N

Compound name

N-[(6-chloro-3-pyridinyl)methyl]formamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 170.02469 Da
Monoisotopic Mass: 0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	171.031966	131.0
[M+Na]+	193.013908	140.4
[M-H]-	169.017414	133.4
[M+NH4]+	188.058513	150.8
[M+K]+	208.987848	136.7
[M+H-H2O]+	153.021950	125.2
[M+HCOO]-	215.022891	151.8
[M+CH3COO]-	229.038541	178.8
[M+Na-2H]-	190.999356	139.5
[M]+	170.02414142	132.9
[M]-	170.02523858	132.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe