CID 62138653

3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

Structural Information

Molecular Formula
C10H9N3O2
SMILES
C1CC1C2=NN=C3N2C=C(C=C3)C(=O)O
InChI
InChI=1S/C10H9N3O2/c14-10(15)7-3-4-8-11-12-9(6-1-2-6)13(8)5-7/h3-6H,1-2H2,(H,14,15)
InChIKey
IQIUVUKBNCBABR-UHFFFAOYSA-N
Compound name
3-cyclopropyl-[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

203.06947 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.076746 149.5
[M+Na]+ 226.058688 162.1
[M-H]- 202.062194 153.4
[M+NH4]+ 221.103293 162.0
[M+K]+ 242.032628 156.5
[M+H-H2O]+ 186.066730 141.6
[M+HCOO]- 248.067671 170.2
[M+CH3COO]- 262.083321 161.9
[M+Na-2H]- 224.044136 154.9
[M]+ 203.06892142 153.4
[M]- 203.07001858 153.4
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.