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]+ 176.08183 134.0
[M+Na]+ 198.06377 146.3
[M-H]- 174.06727 135.4
[M+NH4]+ 193.10837 153.5
[M+K]+ 214.03771 142.4
[M+H-H2O]+ 158.07181 126.4
[M+HCOO]- 220.07275 157.3
[M+CH3COO]- 234.08840 179.4
[M+Na-2H]- 196.04922 142.1
[M]+ 175.07400 137.2
[M]- 175.07510 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