CID 155978421

2624108-55-8

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]+ 204.105276 148.0
[M+Na]+ 226.087218 155.5
[M-H]- 202.090724 149.7
[M+NH4]+ 221.131823 170.4
[M+K]+ 242.061158 152.9
[M+H-H2O]+ 186.095260 144.0
[M+HCOO]- 248.096201 161.1
[M+CH3COO]- 262.111851 178.0
[M+Na-2H]- 224.072666 148.0
[M]+ 203.09745142 146.8
[M]- 203.09854858 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.