CID 2758928

5-(ethylthio)-1h-tetrazole

Structural Information

Molecular Formula
C3H6N4S
SMILES
CCSC1=NNN=N1
InChI
InChI=1S/C3H6N4S/c1-2-8-3-4-6-7-5-3/h2H2,1H3,(H,4,5,6,7)
InChIKey
GONFBOIJNUKKST-UHFFFAOYSA-N
Compound name
5-ethylsulfanyl-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

8473
Patents

130.03131 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.03859 124.5
[M+Na]+ 153.02053 135.7
[M+NH4]+ 148.06513 132.0
[M+K]+ 168.99447 130.4
[M-H]- 129.02403 123.5
[M+Na-2H]- 151.00598 129.2
[M]+ 130.03076 126.0
[M]- 130.03186 126.0
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