CID 5369886

Crotoniazide

Structural Information

Molecular Formula
C10H11N3O
SMILES
C/C=C/C=N/NC(=O)C1=CC=NC=C1
InChI
InChI=1S/C10H11N3O/c1-2-3-6-12-13-10(14)9-4-7-11-8-5-9/h2-8H,1H3,(H,13,14)/b3-2+,12-6+
InChIKey
YLWYNCPRXFCNLQ-WYIUXTECSA-N
Compound name
N-[(E)-[(E)-but-2-enylidene]amino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

58
Patents

189.09021 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.09749 141.0
[M+Na]+ 212.07943 147.5
[M-H]- 188.08293 144.4
[M+NH4]+ 207.12403 159.2
[M+K]+ 228.05337 145.2
[M+H-H2O]+ 172.08747 133.3
[M+HCOO]- 234.08841 167.4
[M+CH3COO]- 248.10406 187.5
[M+Na-2H]- 210.06488 148.7
[M]+ 189.08966 140.6
[M]- 189.09076 140.6
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