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

15
Patents

176.06981 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.07709 136.0
[M+Na]+ 199.05903 145.3
[M-H]- 175.06253 135.2
[M+NH4]+ 194.10363 151.0
[M+K]+ 215.03297 141.1
[M+H-H2O]+ 159.06707 127.1
[M+HCOO]- 221.06801 155.0
[M+CH3COO]- 235.08366 147.9
[M+Na-2H]- 197.04448 142.9
[M]+ 176.06926 133.9
[M]- 176.07036 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