CID 95204

5-methyl-1-phenyl-1h-tetrazole

Structural Information

Molecular Formula
C8H8N4
SMILES
CC1=NN=NN1C2=CC=CC=C2
InChI
InChI=1S/C8H8N4/c1-7-9-10-11-12(7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKey
QYSASSWEUXOZEQ-UHFFFAOYSA-N
Compound name
5-methyl-1-phenyltetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

165
Patents

160.07489 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.08217 131.8
[M+Na]+ 183.06411 142.1
[M-H]- 159.06761 133.6
[M+NH4]+ 178.10871 148.9
[M+K]+ 199.03805 139.1
[M+H-H2O]+ 143.07215 122.4
[M+HCOO]- 205.07309 153.6
[M+CH3COO]- 219.08874 145.2
[M+Na-2H]- 181.04956 139.6
[M]+ 160.07434 132.0
[M]- 160.07544 132.0
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