CID 75453064

4-(3-amino-1h-1,2,4-triazol-1-yl)phenol

Structural Information

Molecular Formula
C8H8N4O
SMILES
C1=CC(=CC=C1N2C=NC(=N2)N)O
InChI
InChI=1S/C8H8N4O/c9-8-10-5-12(11-8)6-1-3-7(13)4-2-6/h1-5,13H,(H2,9,11)
InChIKey
NWUODDKBQSKXGT-UHFFFAOYSA-N
Compound name
4-(3-amino-1,2,4-triazol-1-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.06981 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.077086 134.9
[M+Na]+ 199.059028 144.7
[M-H]- 175.062534 136.8
[M+NH4]+ 194.103633 151.7
[M+K]+ 215.032968 141.0
[M+H-H2O]+ 159.067070 126.5
[M+HCOO]- 221.068011 157.3
[M+CH3COO]- 235.083661 147.9
[M+Na-2H]- 197.044476 141.1
[M]+ 176.06926142 132.9
[M]- 176.07035858 132.9
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.