CID 8005210

5-(phenoxymethyl)-2h-1,2,3,4-tetrazole

Structural Information

Molecular Formula
C8H8N4O
SMILES
C1=CC=C(C=C1)OCC2=NNN=N2
InChI
InChI=1S/C8H8N4O/c1-2-4-7(5-3-1)13-6-8-9-11-12-10-8/h1-5H,6H2,(H,9,10,11,12)
InChIKey
OKACIACGQZSZRA-UHFFFAOYSA-N
Compound name
5-(phenoxymethyl)-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

155
Patents

176.06981 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.077086 134.8
[M+Na]+ 199.059028 143.5
[M-H]- 175.062534 134.9
[M+NH4]+ 194.103633 150.1
[M+K]+ 215.032968 140.3
[M+H-H2O]+ 159.067070 125.3
[M+HCOO]- 221.068011 155.3
[M+CH3COO]- 235.083661 147.0
[M+Na-2H]- 197.044476 142.9
[M]+ 176.06926142 134.1
[M]- 176.07035858 134.1
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