CID 65399372

3-cycloheptyl-1,2,4-thiadiazol-5-amine

Structural Information

Molecular Formula
C9H15N3S
SMILES
C1CCCC(CC1)C2=NSC(=N2)N
InChI
InChI=1S/C9H15N3S/c10-9-11-8(12-13-9)7-5-3-1-2-4-6-7/h7H,1-6H2,(H2,10,11,12)
InChIKey
JCJRLASPUAFMLG-UHFFFAOYSA-N
Compound name
3-cycloheptyl-1,2,4-thiadiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.09866 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.105936 142.8
[M+Na]+ 220.087878 147.0
[M-H]- 196.091384 147.0
[M+NH4]+ 215.132483 159.6
[M+K]+ 236.061818 148.1
[M+H-H2O]+ 180.095920 134.1
[M+HCOO]- 242.096861 157.3
[M+CH3COO]- 256.112511 153.5
[M+Na-2H]- 218.073326 142.7
[M]+ 197.09811142 135.5
[M]- 197.09920858 135.5
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.