CID 3955936

303749-96-4

Structural Information

Molecular Formula
C2H3N9
SMILES
C1(=NNN=N1)NC2=NNN=N2
InChI
InChI=1S/C2H3N9/c3(1-4-8-9-5-1)2-6-10-11-7-2/h(H3,3,4,5,6,7,8,9,10,11)
InChIKey
RVXHYSAOMMVOCQ-UHFFFAOYSA-N
Compound name
N-(2H-tetrazol-5-yl)-2H-tetrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

156
Patents

153.05115 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.05843 126.9
[M+Na]+ 176.04037 137.8
[M-H]- 152.04387 122.5
[M+NH4]+ 171.08497 138.5
[M+K]+ 192.01431 134.3
[M+H-H2O]+ 136.04841 116.1
[M+HCOO]- 198.04935 145.2
[M+CH3COO]- 212.06500 138.1
[M+Na-2H]- 174.02582 135.5
[M]+ 153.05060 124.6
[M]- 153.05170 124.6
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