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

11
Patents

197.09866 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.105936 141.3
[M+Na]+ 220.087878 148.7
[M-H]- 196.091384 144.8
[M+NH4]+ 215.132483 161.8
[M+K]+ 236.061818 145.7
[M+H-H2O]+ 180.095920 134.4
[M+HCOO]- 242.096861 156.7
[M+CH3COO]- 256.112511 153.4
[M+Na-2H]- 218.073326 143.4
[M]+ 197.09811142 137.7
[M]- 197.09920858 137.7
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