CID 3781604

N-(pyridin-2-yl)formamide

Structural Information

Molecular Formula
C6H6N2O
SMILES
C1=CC=NC(=C1)NC=O
InChI
InChI=1S/C6H6N2O/c9-5-8-6-3-1-2-4-7-6/h1-5H,(H,7,8,9)
InChIKey
NOCSAAHHSOQRCI-UHFFFAOYSA-N
Compound name
N-pyridin-2-ylformamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

3551
Patents

122.04801 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.055286 120.3
[M+Na]+ 145.037228 128.4
[M-H]- 121.040734 122.8
[M+NH4]+ 140.081833 140.9
[M+K]+ 161.011168 127.0
[M+H-H2O]+ 105.045270 113.9
[M+HCOO]- 167.046211 146.1
[M+CH3COO]- 181.061861 170.8
[M+Na-2H]- 143.022676 130.6
[M]+ 122.04746142 119.6
[M]- 122.04855858 119.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe