CID 307902

6926-51-8

Structural Information

Molecular Formula
C8H8N4O
SMILES
COC1=CC=C(C=C1)C2=NNN=N2
InChI
InChI=1S/C8H8N4O/c1-13-7-4-2-6(3-5-7)8-9-11-12-10-8/h2-5H,1H3,(H,9,10,11,12)
InChIKey
KZGGHPBTKGLWQL-UHFFFAOYSA-N
Compound name
5-(4-methoxyphenyl)-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

171
Patents

176.06981 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.07709 135.4
[M+Na]+ 199.05903 145.1
[M-H]- 175.06253 135.9
[M+NH4]+ 194.10363 151.1
[M+K]+ 215.03297 141.8
[M+H-H2O]+ 159.06707 126.2
[M+HCOO]- 221.06801 155.9
[M+CH3COO]- 235.08366 148.0
[M+Na-2H]- 197.04448 142.7
[M]+ 176.06926 135.1
[M]- 176.07036 135.1
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