CID 82567808

1895585-65-5

Structural Information

Molecular Formula
C7H9N3O2
SMILES
C1CN2C(=NC=N2)CC1C(=O)O
InChI
InChI=1S/C7H9N3O2/c11-7(12)5-1-2-10-6(3-5)8-4-9-10/h4-5H,1-3H2,(H,11,12)
InChIKey
CLBJSNQAXRBLHZ-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

167.06947 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.076746 133.9
[M+Na]+ 190.058688 141.9
[M-H]- 166.062194 132.9
[M+NH4]+ 185.103293 152.3
[M+K]+ 206.032628 140.0
[M+H-H2O]+ 150.066730 126.4
[M+HCOO]- 212.067671 151.0
[M+CH3COO]- 226.083321 174.3
[M+Na-2H]- 188.044136 139.2
[M]+ 167.06892142 131.4
[M]- 167.07001858 131.4
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

patents stripe