CID 708462

1-cyclohexyl-1h-1,2,3,4-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

369
Patents

184.07826 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.085536 139.0
[M+Na]+ 207.067478 147.4
[M-H]- 183.070984 139.0
[M+NH4]+ 202.112083 155.1
[M+K]+ 223.041418 143.3
[M+H-H2O]+ 167.075520 130.8
[M+HCOO]- 229.076461 150.8
[M+CH3COO]- 243.092111 150.2
[M+Na-2H]- 205.052926 140.0
[M]+ 184.07771142 134.5
[M]- 184.07880858 134.5
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