CID 17603749

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

Structural Information

Molecular Formula
C9H15N3S
SMILES
CC1(CCCCC1)C2=NN=C(S2)N
InChI
InChI=1S/C9H15N3S/c1-9(5-3-2-4-6-9)7-11-12-8(10)13-7/h2-6H2,1H3,(H2,10,12)
InChIKey
VFBWPYIGNOTWEX-UHFFFAOYSA-N
Compound name
5-(1-methylcyclohexyl)-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

197.09866 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.10594 141.9
[M+Na]+ 220.08788 152.0
[M+NH4]+ 215.13248 152.3
[M+K]+ 236.06182 144.0
[M-H]- 196.09138 145.1
[M+Na-2H]- 218.07333 149.2
[M]+ 197.09811 144.7
[M]- 197.09921 144.7
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

patents stripe