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
(3aR,6aS)-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]+ 130.068496 127.3
[M+Na]+ 152.050438 134.7
[M-H]- 128.053944 129.0
[M+NH4]+ 147.095043 152.5
[M+K]+ 168.024378 132.9
[M+H-H2O]+ 112.058480 122.6
[M+HCOO]- 174.059421 142.2
[M+CH3COO]- 188.075071 140.5
[M+Na-2H]- 150.035886 128.2
[M]+ 129.06067142 123.6
[M]- 129.06176858 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