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]+ 248.07782 152.1
[M+Na]+ 270.05976 159.2
[M-H]- 246.06326 151.6
[M+NH4]+ 265.10436 163.4
[M+K]+ 286.03370 155.6
[M+H-H2O]+ 230.06780 142.6
[M+HCOO]- 292.06874 170.3
[M+CH3COO]- 306.08439 188.1
[M+Na-2H]- 268.04521 156.5
[M]+ 247.06999 150.1
[M]- 247.07109 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.