CID 583308

5-(m-tolyl)-1h-tetrazole

Structural Information

Molecular Formula
C8H8N4
SMILES
CC1=CC(=CC=C1)C2=NNN=N2
InChI
InChI=1S/C8H8N4/c1-6-3-2-4-7(5-6)8-9-11-12-10-8/h2-5H,1H3,(H,9,10,11,12)
InChIKey
GWZNHKMUSLKULV-UHFFFAOYSA-N
Compound name
5-(3-methylphenyl)-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

372
Patents

160.07489 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.08217 132.5
[M+Na]+ 183.06411 142.4
[M-H]- 159.06761 133.0
[M+NH4]+ 178.10871 148.9
[M+K]+ 199.03805 138.5
[M+H-H2O]+ 143.07215 123.5
[M+HCOO]- 205.07309 152.8
[M+CH3COO]- 219.08874 145.3
[M+Na-2H]- 181.04956 139.8
[M]+ 160.07434 130.9
[M]- 160.07544 130.9
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