CID 4357529

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

Structural Information

Molecular Formula
C8H13N3S
SMILES
C1CCC(C1)CC2=NN=C(S2)N
InChI
InChI=1S/C8H13N3S/c9-8-11-10-7(12-8)5-6-3-1-2-4-6/h6H,1-5H2,(H2,9,11)
InChIKey
WELHTTQQQDXIDI-UHFFFAOYSA-N
Compound name
5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

183.08302 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.090296 138.5
[M+Na]+ 206.072238 146.6
[M-H]- 182.075744 142.6
[M+NH4]+ 201.116843 159.5
[M+K]+ 222.046178 144.2
[M+H-H2O]+ 166.080280 131.4
[M+HCOO]- 228.081221 156.5
[M+CH3COO]- 242.096871 151.4
[M+Na-2H]- 204.057686 138.1
[M]+ 183.08247142 136.7
[M]- 183.08356858 136.7
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