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]+ 144.08415 131.4
[M+Na]+ 166.06609 139.2
[M-H]- 142.06959 133.1
[M+NH4]+ 161.11069 158.0
[M+K]+ 182.04003 137.1
[M+H-H2O]+ 126.07413 127.2
[M+HCOO]- 188.07507 145.9
[M+CH3COO]- 202.09072 144.5
[M+Na-2H]- 164.05154 133.1
[M]+ 143.07632 128.4
[M]- 143.07742 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.