CID 65753275

4-(pyrrolidine-1-sulfonyl)-benzyl alcohol

Structural Information

Molecular Formula
C11H15NO3S
SMILES
C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)CO
InChI
InChI=1S/C11H15NO3S/c13-9-10-3-5-11(6-4-10)16(14,15)12-7-1-2-8-12/h3-6,13H,1-2,7-9H2
InChIKey
SMLXVRYODQETFW-UHFFFAOYSA-N
Compound name
(4-pyrrolidin-1-ylsulfonylphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

241.07727 Da
Monoisotopic Mass

0.7
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.