CID 65753275

[4-(pyrrolidine-1-sulfonyl)phenyl]methanol

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	242.084546	153.1
[M+Na]+	264.066488	160.5
[M-H]-	240.069994	157.3
[M+NH4]+	259.111093	170.8
[M+K]+	280.040428	157.1
[M+H-H2O]+	224.074530	147.0
[M+HCOO]-	286.075471	168.1
[M+CH3COO]-	300.091121	183.5
[M+Na-2H]-	262.051936	154.9
[M]+	241.07672142	153.0
[M]-	241.07781858	153.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe