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 140.4
[M+Na]+ 194.09739 147.4
[M-H]- 170.10089 141.9
[M+NH4]+ 189.14199 164.3
[M+K]+ 210.07133 144.7
[M+H-H2O]+ 154.10543 135.6
[M+HCOO]- 216.10637 154.3
[M+CH3COO]- 230.12202 152.6
[M+Na-2H]- 192.08284 139.2
[M]+ 171.10762 138.2
[M]- 171.10872 138.2
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.