CID 708403

5-(cyclohexylamino)-1,3,4-thiadiazole-2-thiol

Structural Information

Molecular Formula
C8H13N3S2
SMILES
C1CCC(CC1)NC2=NNC(=S)S2
InChI
InChI=1S/C8H13N3S2/c12-8-11-10-7(13-8)9-6-4-2-1-3-5-6/h6H,1-5H2,(H,9,10)(H,11,12)
InChIKey
JOPULZODGGQCOM-UHFFFAOYSA-N
Compound name
5-(cyclohexylamino)-3H-1,3,4-thiadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

7
Patents

215.05508 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.06236 142.0
[M+Na]+ 238.04430 149.4
[M-H]- 214.04780 144.2
[M+NH4]+ 233.08890 159.6
[M+K]+ 254.01824 143.8
[M+H-H2O]+ 198.05234 135.5
[M+HCOO]- 260.05328 151.6
[M+CH3COO]- 274.06893 152.9
[M+Na-2H]- 236.02975 141.8
[M]+ 215.05453 137.4
[M]- 215.05563 137.4
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