CID 155978421

(2s,3as,6as)-2-(methanesulfonylmethyl)-octahydrocyclopenta[b]pyrrole hydrochloride

Structural Information

Molecular Formula
C9H17NO2S
SMILES
CS(=O)(=O)C[C@@H]1C[C@@H]2CCC[C@@H]2N1
InChI
InChI=1S/C9H17NO2S/c1-13(11,12)6-8-5-7-3-2-4-9(7)10-8/h7-10H,2-6H2,1H3/t7-,8-,9-/m0/s1
InChIKey
QSNQVCVSXBCYBP-CIUDSAMLSA-N
Compound name
(2S,3aS,6aS)-2-(methylsulfonylmethyl)-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

203.098 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.10528 146.4
[M+Na]+ 226.08722 153.2
[M+NH4]+ 221.13182 154.2
[M+K]+ 242.06116 150.5
[M-H]- 202.09072 145.2
[M+Na-2H]- 224.07267 146.7
[M]+ 203.09745 147.1
[M]- 203.09855 147.1
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.