CID 81877628

5-(4-methylcyclohexyl)-1,3,4-thiadiazol-2-amine

Structural Information

Molecular Formula
C9H15N3S
SMILES
CC1CCC(CC1)C2=NN=C(S2)N
InChI
InChI=1S/C9H15N3S/c1-6-2-4-7(5-3-6)8-11-12-9(10)13-8/h6-7H,2-5H2,1H3,(H2,10,12)
InChIKey
RFCBRYJWFDCCOA-UHFFFAOYSA-N
Compound name
5-(4-methylcyclohexyl)-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.09866 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.10594 142.5
[M+Na]+ 220.08788 152.9
[M+NH4]+ 215.13248 151.5
[M+K]+ 236.06182 146.7
[M-H]- 196.09138 145.9
[M+Na-2H]- 218.07333 147.9
[M]+ 197.09811 145.2
[M]- 197.09921 145.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.