CID 62231332

1285218-25-8

Structural Information

Molecular Formula
C10H9N5O3
SMILES
C1=CC(=CC(=C1)NC(=O)CC(=O)O)C2=NNN=N2
InChI
InChI=1S/C10H9N5O3/c16-8(5-9(17)18)11-7-3-1-2-6(4-7)10-12-14-15-13-10/h1-4H,5H2,(H,11,16)(H,17,18)(H,12,13,14,15)
InChIKey
BZDPRMSVODPTGP-UHFFFAOYSA-N
Compound name
3-oxo-3-[3-(2H-tetrazol-5-yl)anilino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.07054 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.077816 152.1
[M+Na]+ 270.059758 159.2
[M-H]- 246.063264 151.6
[M+NH4]+ 265.104363 163.4
[M+K]+ 286.033698 155.6
[M+H-H2O]+ 230.067800 142.6
[M+HCOO]- 292.068741 170.3
[M+CH3COO]- 306.084391 188.1
[M+Na-2H]- 268.045206 156.5
[M]+ 247.06999142 150.1
[M]- 247.07108858 150.1
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.