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

0
Patents

167.06947 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.07675 133.9
[M+Na]+ 190.05869 141.9
[M-H]- 166.06219 132.9
[M+NH4]+ 185.10329 152.3
[M+K]+ 206.03263 140.0
[M+H-H2O]+ 150.06673 126.4
[M+HCOO]- 212.06767 151.0
[M+CH3COO]- 226.08332 174.3
[M+Na-2H]- 188.04414 139.2
[M]+ 167.06892 131.4
[M]- 167.07002 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

No patent data available for this compound.