CID 22633334

501126-02-9

Structural Information

Molecular Formula
C8H8N4O
SMILES
C1=CC(=CC=C1CO)C2=NNN=N2
InChI
InChI=1S/C8H8N4O/c13-5-6-1-3-7(4-2-6)8-9-11-12-10-8/h1-4,13H,5H2,(H,9,10,11,12)
InChIKey
YRBYIQONKVQONA-UHFFFAOYSA-N
Compound name
[4-(2H-tetrazol-5-yl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

176.06981 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.077086 136.0
[M+Na]+ 199.059028 145.3
[M-H]- 175.062534 135.2
[M+NH4]+ 194.103633 151.0
[M+K]+ 215.032968 141.1
[M+H-H2O]+ 159.067070 127.1
[M+HCOO]- 221.068011 155.0
[M+CH3COO]- 235.083661 147.9
[M+Na-2H]- 197.044476 142.9
[M]+ 176.06926142 133.9
[M]- 176.07035858 133.9
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