CID 70521154

1598245-53-4

Structural Information

Molecular Formula
C9H9N3O
SMILES
C=CCN1C(=O)N2C=CC=CC2=N1
InChI
InChI=1S/C9H9N3O/c1-2-6-12-9(13)11-7-4-3-5-8(11)10-12/h2-5,7H,1,6H2
InChIKey
FIVPZQAKGXTYTB-UHFFFAOYSA-N
Compound name
2-prop-2-enyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

175.07455 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.081826 134.0
[M+Na]+ 198.063768 146.3
[M-H]- 174.067274 135.4
[M+NH4]+ 193.108373 153.5
[M+K]+ 214.037708 142.4
[M+H-H2O]+ 158.071810 126.4
[M+HCOO]- 220.072751 157.3
[M+CH3COO]- 234.088401 179.4
[M+Na-2H]- 196.049216 142.1
[M]+ 175.07400142 137.2
[M]- 175.07509858 137.2
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