CID 96219773

Rac-(3ar,6ar)-hexahydro-1h-cyclopenta[c]thiophen-5-amine hydrochloride

Structural Information

Molecular Formula
C7H13NS
SMILES
C1[C@@H]2CSC[C@H]2CC1N
InChI
InChI=1S/C7H13NS/c8-7-1-5-3-9-4-6(5)2-7/h5-7H,1-4,8H2/t5-,6-/m1/s1
InChIKey
SEDRLMWUIFWPTH-PHDIDXHHSA-N
Compound name
(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophen-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.07687 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.084146 130.4
[M+Na]+ 166.066088 137.7
[M-H]- 142.069594 134.4
[M+NH4]+ 161.110693 156.7
[M+K]+ 182.040028 135.8
[M+H-H2O]+ 126.074130 126.3
[M+HCOO]- 188.075071 147.9
[M+CH3COO]- 202.090721 144.1
[M+Na-2H]- 164.051536 130.7
[M]+ 143.07632142 127.1
[M]- 143.07741858 127.1
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

No patent data available for this compound.