CID 16216944

1-(p-tosyl)-(r)-(-)-3-pyrrolidinol

Structural Information

Molecular Formula
C11H15NO3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2CC[C@H](C2)O
InChI
InChI=1S/C11H15NO3S/c1-9-2-4-11(5-3-9)16(14,15)12-7-6-10(13)8-12/h2-5,10,13H,6-8H2,1H3/t10-/m1/s1
InChIKey
GOIRRXGVYYWCGC-SNVBAGLBSA-N
Compound name
(3R)-1-(4-methylphenyl)sulfonylpyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

241.07727 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.08455 152.7
[M+Na]+ 264.06649 161.0
[M-H]- 240.06999 157.3
[M+NH4]+ 259.11109 170.8
[M+K]+ 280.04043 157.5
[M+H-H2O]+ 224.07453 146.9
[M+HCOO]- 286.07547 167.7
[M+CH3COO]- 300.09112 184.7
[M+Na-2H]- 262.05194 153.9
[M]+ 241.07672 153.0
[M]- 241.07782 153.0
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

patents stripe