CID 136111527

4-(5-oxo-4,5-dihydro-1h-tetrazol-1-yl)benzoic acid

Structural Information

Molecular Formula
C8H6N4O3
SMILES
C1=CC(=CC=C1C(=O)O)N2C(=O)NN=N2
InChI
InChI=1S/C8H6N4O3/c13-7(14)5-1-3-6(4-2-5)12-8(15)9-10-11-12/h1-4H,(H,13,14)(H,9,11,15)
InChIKey
NXAYPFTUBHHJQK-UHFFFAOYSA-N
Compound name
4-(5-oxo-1H-tetrazol-4-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

206.04399 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.05127 141.8
[M+Na]+ 229.03321 153.9
[M+NH4]+ 224.07781 146.6
[M+K]+ 245.00715 152.3
[M-H]- 205.03671 140.6
[M+Na-2H]- 227.01866 147.6
[M]+ 206.04344 142.7
[M]- 206.04454 142.7
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