CID 2743869

Maybridge1_008269

Structural Information

Molecular Formula
C7H7N5S
SMILES
C1=CC=NC(=C1)SCC2=NNN=N2
InChI
InChI=1S/C7H7N5S/c1-2-4-8-7(3-1)13-5-6-9-11-12-10-6/h1-4H,5H2,(H,9,10,11,12)
InChIKey
BQVSJNPYSGIKPW-UHFFFAOYSA-N
Compound name
2-(2H-tetrazol-5-ylmethylsulfanyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

193.04222 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.049496 137.3
[M+Na]+ 216.031438 147.8
[M-H]- 192.034944 136.8
[M+NH4]+ 211.076043 151.7
[M+K]+ 232.005378 143.2
[M+H-H2O]+ 176.039480 128.5
[M+HCOO]- 238.040421 151.9
[M+CH3COO]- 252.056071 149.1
[M+Na-2H]- 214.016886 142.1
[M]+ 193.04167142 137.7
[M]- 193.04276858 137.7
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

No patent data available for this compound.