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]+ 219.08765 146.7
[M+Na]+ 241.06959 156.3
[M-H]- 217.07309 148.9
[M+NH4]+ 236.11419 161.8
[M+K]+ 257.04353 152.7
[M+H-H2O]+ 201.07763 138.3
[M+HCOO]- 263.07857 167.8
[M+CH3COO]- 277.09422 187.6
[M+Na-2H]- 239.05504 149.9
[M]+ 218.07982 145.8
[M]- 218.08092 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