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]+ 194.09241 138.6
[M+Na]+ 216.07435 150.1
[M-H]- 192.07785 138.7
[M+NH4]+ 211.11895 156.7
[M+K]+ 232.04829 146.4
[M+H-H2O]+ 176.08239 131.1
[M+HCOO]- 238.08333 160.4
[M+CH3COO]- 252.09898 179.7
[M+Na-2H]- 214.05980 146.3
[M]+ 193.08458 142.1
[M]- 193.08568 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.