CID 3711866

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

Structural Information

Molecular Formula
C9H15N3S
SMILES
C1CCC(CC1)CC2=NN=C(S2)N
InChI
InChI=1S/C9H15N3S/c10-9-12-11-8(13-9)6-7-4-2-1-3-5-7/h7H,1-6H2,(H2,10,12)
InChIKey
QOSURVNXIZBWCK-UHFFFAOYSA-N
Compound name
5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

197.09866 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.105936 142.0
[M+Na]+ 220.087878 148.5
[M-H]- 196.091384 145.2
[M+NH4]+ 215.132483 160.5
[M+K]+ 236.061818 145.3
[M+H-H2O]+ 180.095920 134.4
[M+HCOO]- 242.096861 157.4
[M+CH3COO]- 256.112511 153.7
[M+Na-2H]- 218.073326 142.7
[M]+ 197.09811142 138.1
[M]- 197.09920858 138.1
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