CID 66591938

741653-34-9

Structural Information

Molecular Formula
C6H11NS
SMILES
C1[C@@H]2CSC[C@@H]2CN1
InChI
InChI=1S/C6H11NS/c1-5-3-8-4-6(5)2-7-1/h5-7H,1-4H2/t5-,6+
InChIKey
IELORWUAPRVYLB-OLQVQODUSA-N
Compound name
(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-thieno[3,4-c]pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

129.06122 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.06850 127.3
[M+Na]+ 152.05044 134.7
[M-H]- 128.05394 129.0
[M+NH4]+ 147.09504 152.5
[M+K]+ 168.02438 132.9
[M+H-H2O]+ 112.05848 122.6
[M+HCOO]- 174.05942 142.2
[M+CH3COO]- 188.07507 140.5
[M+Na-2H]- 150.03589 128.2
[M]+ 129.06067 123.6
[M]- 129.06177 123.6
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