CID 114325464

1528212-58-9

Structural Information

Molecular Formula
C9H8N4O2
SMILES
C1=CN=C(C=C1C(=O)O)CN2C=NN=C2
InChI
InChI=1S/C9H8N4O2/c14-9(15)7-1-2-10-8(3-7)4-13-5-11-12-6-13/h1-3,5-6H,4H2,(H,14,15)
InChIKey
AMCATXWCBYKBTK-UHFFFAOYSA-N
Compound name
2-(1,2,4-triazol-4-ylmethyl)pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.06473 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.07201 142.8
[M+Na]+ 227.05395 155.2
[M+NH4]+ 222.09855 148.6
[M+K]+ 243.02789 152.4
[M-H]- 203.05745 142.7
[M+Na-2H]- 225.03940 149.8
[M]+ 204.06418 144.2
[M]- 204.06528 144.2
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.