CID 146082563

2110696-13-2

Structural Information

Molecular Formula
C6H6N6
SMILES
C1=CC(=CN=C1)NC2=NNN=N2
InChI
InChI=1S/C6H6N6/c1-2-5(4-7-3-1)8-6-9-11-12-10-6/h1-4H,(H2,8,9,10,11,12)
InChIKey
AEADSMOAMYGFFK-UHFFFAOYSA-N
Compound name
N-(2H-tetrazol-5-yl)pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.0654 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.07268 130.7
[M+Na]+ 185.05462 139.6
[M-H]- 161.05812 129.9
[M+NH4]+ 180.09922 144.9
[M+K]+ 201.02856 135.9
[M+H-H2O]+ 145.06266 120.6
[M+HCOO]- 207.06360 151.3
[M+CH3COO]- 221.07925 142.6
[M+Na-2H]- 183.04007 140.5
[M]+ 162.06485 127.8
[M]- 162.06595 127.8
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.