CID 82285357

1091575-78-8

Structural Information

Molecular Formula
C10H10N4O2
SMILES
CC1=CC(=CC=C1)N2C(=C(N=N2)C(=O)O)N
InChI
InChI=1S/C10H10N4O2/c1-6-3-2-4-7(5-6)14-9(11)8(10(15)16)12-13-14/h2-5H,11H2,1H3,(H,15,16)
InChIKey
JNCTUHKZWHZJPG-UHFFFAOYSA-N
Compound name
5-amino-1-(3-methylphenyl)triazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

218.08037 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.087646 146.7
[M+Na]+ 241.069588 156.3
[M-H]- 217.073094 148.9
[M+NH4]+ 236.114193 161.8
[M+K]+ 257.043528 152.7
[M+H-H2O]+ 201.077630 138.3
[M+HCOO]- 263.078571 167.8
[M+CH3COO]- 277.094221 187.6
[M+Na-2H]- 239.055036 149.9
[M]+ 218.07982142 145.8
[M]- 218.08091858 145.8
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