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

81
Patents

241.07727 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.084546 152.7
[M+Na]+ 264.066488 161.0
[M-H]- 240.069994 157.3
[M+NH4]+ 259.111093 170.8
[M+K]+ 280.040428 157.5
[M+H-H2O]+ 224.074530 146.9
[M+HCOO]- 286.075471 167.7
[M+CH3COO]- 300.091121 184.7
[M+Na-2H]- 262.051936 153.9
[M]+ 241.07672142 153.0
[M]- 241.07781858 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