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]+ 144.08415 130.4
[M+Na]+ 166.06609 137.7
[M-H]- 142.06959 134.4
[M+NH4]+ 161.11069 156.7
[M+K]+ 182.04003 135.8
[M+H-H2O]+ 126.07413 126.3
[M+HCOO]- 188.07507 147.9
[M+CH3COO]- 202.09072 144.1
[M+Na-2H]- 164.05154 130.7
[M]+ 143.07632 127.1
[M]- 143.07742 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.