CID 137711

Diammonium 5,5'-bitetrazolide

Structural Information

Molecular Formula
C2H2N8
SMILES
C1(=NNN=N1)C2=NNN=N2
InChI
InChI=1S/C2H2N8/c3-1(4-8-7-3)2-5-9-10-6-2/h(H,3,4,7,8)(H,5,6,9,10)
InChIKey
MTAYYBKXNAEQOK-UHFFFAOYSA-N
Compound name
5-(2H-tetrazol-5-yl)-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1598
Patents

138.04024 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.04752 124.7
[M+Na]+ 161.02946 136.6
[M-H]- 137.03296 120.0
[M+NH4]+ 156.07406 137.2
[M+K]+ 177.00340 133.2
[M+H-H2O]+ 121.03750 114.2
[M+HCOO]- 183.03844 141.9
[M+CH3COO]- 197.05409 136.4
[M+Na-2H]- 159.01491 132.3
[M]+ 138.03969 123.0
[M]- 138.04079 123.0
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