CID 176153

Melizame

Structural Information

Molecular Formula

C₇H₆N₄O₂

SMILES

C1=CC(=CC(=C1)OC2=NNN=N2)O

InChI

InChI=1S/C7H6N4O2/c12-5-2-1-3-6(4-5)13-7-8-10-11-9-7/h1-4,12H,(H,8,9,10,11)

InChIKey

DZHBTQHPZSGDOR-UHFFFAOYSA-N

Compound name

3-(2H-tetrazol-5-yloxy)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 87
Patents: 178.04907 Da
Monoisotopic Mass: 1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	179.05635	135.4
[M+Na]+	201.03829	148.0
[M+NH4]+	196.08289	141.6
[M+K]+	217.01223	145.3
[M-H]-	177.04179	135.3
[M+Na-2H]-	199.02374	142.8
[M]+	178.04852	136.8
[M]-	178.04962	136.8

Literature stripe

literature stripe

Patent stripe

patents stripe