CID 223451

5-benzyl-1h-tetrazole

Structural Information

Molecular Formula
C8H8N4
SMILES
C1=CC=C(C=C1)CC2=NNN=N2
InChI
InChI=1S/C8H8N4/c1-2-4-7(5-3-1)6-8-9-11-12-10-8/h1-5H,6H2,(H,9,10,11,12)
InChIKey
HHDRWGJJZGJSGZ-UHFFFAOYSA-N
Compound name
5-benzyl-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1536
Patents

160.07489 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.08217 132.0
[M+Na]+ 183.06411 140.8
[M-H]- 159.06761 132.0
[M+NH4]+ 178.10871 148.0
[M+K]+ 199.03805 137.1
[M+H-H2O]+ 143.07215 122.6
[M+HCOO]- 205.07309 152.2
[M+CH3COO]- 219.08874 144.3
[M+Na-2H]- 181.04956 140.1
[M]+ 160.07434 129.9
[M]- 160.07544 129.9
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