CID 15496731

180859-18-1

Structural Information

Molecular Formula
C7H6N4O
SMILES
C1=CC=C(C(=C1)N2C=NN=N2)O
InChI
InChI=1S/C7H6N4O/c12-7-4-2-1-3-6(7)11-5-8-9-10-11/h1-5,12H
InChIKey
PTYXETGSZJKFDQ-UHFFFAOYSA-N
Compound name
2-(tetrazol-1-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

162.05415 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.061426 131.0
[M+Na]+ 185.043368 141.1
[M-H]- 161.046874 131.7
[M+NH4]+ 180.087973 147.2
[M+K]+ 201.017308 138.0
[M+H-H2O]+ 145.051410 122.0
[M+HCOO]- 207.052351 151.8
[M+CH3COO]- 221.068001 144.0
[M+Na-2H]- 183.028816 138.8
[M]+ 162.05360142 130.3
[M]- 162.05469858 130.3
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