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

83
Patents

178.04907 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.05635 134.2
[M+Na]+ 201.03829 143.8
[M-H]- 177.04179 133.6
[M+NH4]+ 196.08289 149.0
[M+K]+ 217.01223 140.3
[M+H-H2O]+ 161.04633 125.4
[M+HCOO]- 223.04727 153.8
[M+CH3COO]- 237.06292 146.4
[M+Na-2H]- 199.02374 141.6
[M]+ 178.04852 133.1
[M]- 178.04962 133.1
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