CID 96219773

2287249-40-3

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 129.1
[M+Na]+ 166.06609 136.9
[M+NH4]+ 161.11069 139.8
[M+K]+ 182.04003 132.7
[M-H]- 142.06959 131.7
[M+Na-2H]- 164.05154 131.6
[M]+ 143.07632 131.1
[M]- 143.07742 131.1
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.