CID 4339533

726151-75-3

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₃S

SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)O)N

InChI

InChI=1S/C10H14N2O3S/c11-9-7-8(3-4-10(9)13)16(14,15)12-5-1-2-6-12/h3-4,7,13H,1-2,5-6,11H2

InChIKey

BUWCJYVBLURXKW-UHFFFAOYSA-N

Compound name

2-amino-4-pyrrolidin-1-ylsulfonylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 242.07251 Da
Monoisotopic Mass: 0.5
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]+	243.07979	151.9
[M+Na]+	265.06173	159.6
[M-H]-	241.06523	155.9
[M+NH4]+	260.10633	169.2
[M+K]+	281.03567	155.8
[M+H-H2O]+	225.06977	145.8
[M+HCOO]-	287.07071	167.5
[M+CH3COO]-	301.08636	186.1
[M+Na-2H]-	263.04718	153.4
[M]+	242.07196	150.1
[M]-	242.07306	150.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe