CID 71247950

1380500-92-4

Structural Information

Molecular Formula
C10H8N4O2
SMILES
C1=CC(=CC=C1CC(=O)O)C2=NN=CN=N2
InChI
InChI=1S/C10H8N4O2/c15-9(16)5-7-1-3-8(4-2-7)10-13-11-6-12-14-10/h1-4,6H,5H2,(H,15,16)
InChIKey
SLJKKTFIAUAYGR-UHFFFAOYSA-N
Compound name
2-[4-(1,2,4,5-tetrazin-3-yl)phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

216.06473 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.07201 146.3
[M+Na]+ 239.05395 155.1
[M-H]- 215.05745 146.6
[M+NH4]+ 234.09855 158.2
[M+K]+ 255.02789 151.1
[M+H-H2O]+ 199.06199 136.5
[M+HCOO]- 261.06293 164.6
[M+CH3COO]- 275.07858 184.0
[M+Na-2H]- 237.03940 154.4
[M]+ 216.06418 145.9
[M]- 216.06528 145.9
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.