CID 135649820

2-(5-amino-4h-1,2,4-triazol-3-yl)phenol

Structural Information

Molecular Formula
C8H8N4O
SMILES
C1=CC=C(C(=C1)C2=NC(=NN2)N)O
InChI
InChI=1S/C8H8N4O/c9-8-10-7(11-12-8)5-3-1-2-4-6(5)13/h1-4,13H,(H3,9,10,11,12)
InChIKey
FPTIUOUNXFRAGO-UHFFFAOYSA-N
Compound name
2-(3-amino-1H-1,2,4-triazol-5-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.06981 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.07709 135.4
[M+Na]+ 199.05903 144.7
[M-H]- 175.06253 136.0
[M+NH4]+ 194.10363 151.5
[M+K]+ 215.03297 140.2
[M+H-H2O]+ 159.06707 127.3
[M+HCOO]- 221.06801 156.3
[M+CH3COO]- 235.08366 147.7
[M+Na-2H]- 197.04448 141.2
[M]+ 176.06926 131.5
[M]- 176.07036 131.5
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