CID 5795731

5-styryl-1h-tetrazole

Structural Information

Molecular Formula
C9H8N4
SMILES
C1=CC=C(C=C1)/C=C/C2=NNN=N2
InChI
InChI=1S/C9H8N4/c1-2-4-8(5-3-1)6-7-9-10-12-13-11-9/h1-7H,(H,10,11,12,13)/b7-6+
InChIKey
UHYGCMNTYAEAHI-VOTSOKGWSA-N
Compound name
5-[(E)-2-phenylethenyl]-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

30
Patents

172.07489 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.08217 136.0
[M+Na]+ 195.06411 144.8
[M-H]- 171.06761 136.0
[M+NH4]+ 190.10871 151.6
[M+K]+ 211.03805 140.2
[M+H-H2O]+ 155.07215 126.5
[M+HCOO]- 217.07309 156.2
[M+CH3COO]- 231.08874 148.0
[M+Na-2H]- 193.04956 143.5
[M]+ 172.07434 133.5
[M]- 172.07544 133.5
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