CID 482249

5-(4-pyridyl)-1h-tetrazole

Structural Information

Molecular Formula
C6H5N5
SMILES
C1=CN=CC=C1C2=NNN=N2
InChI
InChI=1S/C6H5N5/c1-3-7-4-2-5(1)6-8-10-11-9-6/h1-4H,(H,8,9,10,11)
InChIKey
JMILUUVWLRKJFB-UHFFFAOYSA-N
Compound name
4-(2H-tetrazol-5-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

90
Patents

147.05449 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.061766 128.0
[M+Na]+ 170.043708 137.7
[M-H]- 146.047214 127.0
[M+NH4]+ 165.088313 143.1
[M+K]+ 186.017648 134.2
[M+H-H2O]+ 130.051750 118.2
[M+HCOO]- 192.052691 147.4
[M+CH3COO]- 206.068341 140.4
[M+Na-2H]- 168.029156 136.9
[M]+ 147.05394142 125.7
[M]- 147.05503858 125.7
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