CID 135478834

4-(2-hydroxybenzylideneamino)-4h-1,2,4-triazole

Structural Information

Molecular Formula
C9H8N4O
SMILES
C1=CC=C(C(=C1)/C=N/N2C=NN=C2)O
InChI
InChI=1S/C9H8N4O/c14-9-4-2-1-3-8(9)5-12-13-6-10-11-7-13/h1-7,14H/b12-5+
InChIKey
GKPHOGZVUNCBKS-LFYBBSHMSA-N
Compound name
2-[(E)-1,2,4-triazol-4-yliminomethyl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

12
Patents

188.06981 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.077086 137.5
[M+Na]+ 211.059028 146.7
[M-H]- 187.062534 140.8
[M+NH4]+ 206.103633 154.5
[M+K]+ 227.032968 143.5
[M+H-H2O]+ 171.067070 128.4
[M+HCOO]- 233.068011 161.9
[M+CH3COO]- 247.083661 150.7
[M+Na-2H]- 209.044476 145.5
[M]+ 188.06926142 137.5
[M]- 188.07035858 137.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe