CID 43509745

2-(3-hydroxypropyl)-2h,3h-[1,2,4]triazolo[4,3-a]pyridin-3-one

Structural Information

Molecular Formula
C9H11N3O2
SMILES
C1=CC2=NN(C(=O)N2C=C1)CCCO
InChI
InChI=1S/C9H11N3O2/c13-7-3-6-12-9(14)11-5-2-1-4-8(11)10-12/h1-2,4-5,13H,3,6-7H2
InChIKey
XOVDGSIREHLHLB-UHFFFAOYSA-N
Compound name
2-(3-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.08513 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.092406 138.6
[M+Na]+ 216.074348 150.1
[M-H]- 192.077854 138.7
[M+NH4]+ 211.118953 156.7
[M+K]+ 232.048288 146.4
[M+H-H2O]+ 176.082390 131.1
[M+HCOO]- 238.083331 160.4
[M+CH3COO]- 252.098981 179.7
[M+Na-2H]- 214.059796 146.3
[M]+ 193.08458142 142.1
[M]- 193.08567858 142.1
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

No patent data available for this compound.