CID 132344068

2137709-37-4

Structural Information

Molecular Formula
C7H13NS
SMILES
C[C@]12CNC[C@H]1CSC2
InChI
InChI=1S/C7H13NS/c1-7-4-8-2-6(7)3-9-5-7/h6,8H,2-5H2,1H3/t6-,7+/m0/s1
InChIKey
QTDCWFBQLUDLGR-NKWVEPMBSA-N
Compound name
(3aR,6aS)-3a-methyl-1,3,4,5,6,6a-hexahydrothieno[3,4-c]pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.07687 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.084146 131.4
[M+Na]+ 166.066088 139.2
[M-H]- 142.069594 133.1
[M+NH4]+ 161.110693 158.0
[M+K]+ 182.040028 137.1
[M+H-H2O]+ 126.074130 127.2
[M+HCOO]- 188.075071 145.9
[M+CH3COO]- 202.090721 144.5
[M+Na-2H]- 164.051536 133.1
[M]+ 143.07632142 128.4
[M]- 143.07741858 128.4
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.