CID 154814328

2550996-53-5

Structural Information

Molecular Formula
C9H17NS
SMILES
CSC[C@@H]1C[C@@H]2CCC[C@@H]2N1
InChI
InChI=1S/C9H17NS/c1-11-6-8-5-7-3-2-4-9(7)10-8/h7-10H,2-6H2,1H3/t7-,8-,9-/m0/s1
InChIKey
BKVBJUWXTPAVBG-CIUDSAMLSA-N
Compound name
(2S,3aS,6aS)-2-(methylsulfanylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.10817 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.11545 139.0
[M+Na]+ 194.09739 147.2
[M+NH4]+ 189.14199 148.9
[M+K]+ 210.07133 142.4
[M-H]- 170.10089 140.1
[M+Na-2H]- 192.08284 140.6
[M]+ 171.10762 140.7
[M]- 171.10872 140.7
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.