CID 136237121

3-(4-hydroxyphenyl)-5h,6h,7h,8h-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

Structural Information

Molecular Formula
C13H13N3O3
SMILES
C1CC2=NN=C(N2CC1C(=O)O)C3=CC=C(C=C3)O
InChI
InChI=1S/C13H13N3O3/c17-10-4-1-8(2-5-10)12-15-14-11-6-3-9(13(18)19)7-16(11)12/h1-2,4-5,9,17H,3,6-7H2,(H,18,19)
InChIKey
VUUVKVBTCMENDS-UHFFFAOYSA-N
Compound name
3-(4-hydroxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.0957 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.10298 157.5
[M+Na]+ 282.08492 165.4
[M-H]- 258.08842 158.8
[M+NH4]+ 277.12952 171.5
[M+K]+ 298.05886 161.0
[M+H-H2O]+ 242.09296 149.0
[M+HCOO]- 304.09390 172.7
[M+CH3COO]- 318.10955 167.9
[M+Na-2H]- 280.07037 160.3
[M]+ 259.09515 155.0
[M]- 259.09625 155.0
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.