CID 44146684

5,5'-(but-2-ene-1,4-diyl)bis-1h-tetrazole

Structural Information

Molecular Formula
C6H8N8
SMILES
C(/C=C/CC1=NNN=N1)C2=NNN=N2
InChI
InChI=1S/C6H8N8/c1(3-5-7-11-12-8-5)2-4-6-9-13-14-10-6/h1-2H,3-4H2,(H,7,8,11,12)(H,9,10,13,14)/b2-1+
InChIKey
HFEJGPOJWWISRP-OWOJBTEDSA-N
Compound name
5-[(E)-4-(2H-tetrazol-5-yl)but-2-enyl]-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.08719 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.094466 141.0
[M+Na]+ 215.076408 151.4
[M-H]- 191.079914 135.7
[M+NH4]+ 210.121013 151.4
[M+K]+ 231.050348 146.6
[M+H-H2O]+ 175.084450 129.7
[M+HCOO]- 237.085391 157.0
[M+CH3COO]- 251.101041 151.0
[M+Na-2H]- 213.061856 146.6
[M]+ 192.08664142 139.8
[M]- 192.08773858 139.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.