CID 15696145

[(2s)-1-(benzenesulfonyl)pyrrolidin-2-yl]methanol

Structural Information

Molecular Formula
C11H15NO3S
SMILES
C1C[C@H](N(C1)S(=O)(=O)C2=CC=CC=C2)CO
InChI
InChI=1S/C11H15NO3S/c13-9-10-5-4-8-12(10)16(14,15)11-6-2-1-3-7-11/h1-3,6-7,10,13H,4-5,8-9H2/t10-/m0/s1
InChIKey
VDRGQWKLTZSRAY-JTQLQIEISA-N
Compound name
[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
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 153.1
[M+Na]+ 264.06649 160.5
[M-H]- 240.06999 157.3
[M+NH4]+ 259.11109 170.8
[M+K]+ 280.04043 157.1
[M+H-H2O]+ 224.07453 147.0
[M+HCOO]- 286.07547 168.1
[M+CH3COO]- 300.09112 183.5
[M+Na-2H]- 262.05194 154.9
[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

literature stripe

Patent stripe

patents stripe