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]+ 163.072676 130.7
[M+Na]+ 185.054618 139.6
[M-H]- 161.058124 129.9
[M+NH4]+ 180.099223 144.9
[M+K]+ 201.028558 135.9
[M+H-H2O]+ 145.062660 120.6
[M+HCOO]- 207.063601 151.3
[M+CH3COO]- 221.079251 142.6
[M+Na-2H]- 183.040066 140.5
[M]+ 162.06485142 127.8
[M]- 162.06594858 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.