CID 72487

4813-04-1

Structural Information

Molecular Formula
C9H11N3O
SMILES
CC(=NNC(=O)C1=CC=NC=C1)C
InChI
InChI=1S/C9H11N3O/c1-7(2)11-12-9(13)8-3-5-10-6-4-8/h3-6H,1-2H3,(H,12,13)
InChIKey
LRCPYBHPYVZWBL-UHFFFAOYSA-N
Compound name
N-(propan-2-ylideneamino)pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

39
Patents

177.09021 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.09749 138.0
[M+Na]+ 200.07943 144.3
[M-H]- 176.08293 141.6
[M+NH4]+ 195.12403 156.7
[M+K]+ 216.05337 143.3
[M+H-H2O]+ 160.08747 130.5
[M+HCOO]- 222.08841 163.5
[M+CH3COO]- 236.10406 186.9
[M+Na-2H]- 198.06488 145.0
[M]+ 177.08966 137.4
[M]- 177.09076 137.4
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