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 148.0
[M+Na]+ 226.08722 155.5
[M-H]- 202.09072 149.7
[M+NH4]+ 221.13182 170.4
[M+K]+ 242.06116 152.9
[M+H-H2O]+ 186.09526 144.0
[M+HCOO]- 248.09620 161.1
[M+CH3COO]- 262.11185 178.0
[M+Na-2H]- 224.07267 148.0
[M]+ 203.09745 146.8
[M]- 203.09855 146.8
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.