CID 708462

1-cyclohexyl-1h-tetrazole-5-thiol

Structural Information

Molecular Formula
C7H12N4S
SMILES
C1CCC(CC1)N2C(=S)N=NN2
InChI
InChI=1S/C7H12N4S/c12-7-8-9-10-11(7)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,10,12)
InChIKey
UFYPTOJTJONMJG-UHFFFAOYSA-N
Compound name
1-cyclohexyl-2H-tetrazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

424
Patents

184.07826 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.08554 139.2
[M+Na]+ 207.06748 150.3
[M+NH4]+ 202.11208 146.9
[M+K]+ 223.04142 144.3
[M-H]- 183.07098 140.1
[M+Na-2H]- 205.05293 144.3
[M]+ 184.07771 141.2
[M]- 184.07881 141.2
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