CID 81495625

1512184-59-6

Structural Information

Molecular Formula
C13H12FN3O2
SMILES
C1CC2=NN=C(N2CC1C(=O)O)C3=CC=C(C=C3)F
InChI
InChI=1S/C13H12FN3O2/c14-10-4-1-8(2-5-10)12-16-15-11-6-3-9(13(18)19)7-17(11)12/h1-2,4-5,9H,3,6-7H2,(H,18,19)
InChIKey
WQOKHMRIBWKRDT-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)-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

261.09137 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.09865 157.2
[M+Na]+ 284.08059 165.7
[M-H]- 260.08409 158.4
[M+NH4]+ 279.12519 171.7
[M+K]+ 300.05453 161.0
[M+H-H2O]+ 244.08863 147.4
[M+HCOO]- 306.08957 172.6
[M+CH3COO]- 320.10522 167.8
[M+Na-2H]- 282.06604 159.6
[M]+ 261.09082 154.0
[M]- 261.09192 154.0
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.