CID 64198259

3-(benzyloxy)propane-1-sulfonamide

Structural Information

Molecular Formula

C₁₀H₁₅NO₃S

SMILES

C1=CC=C(C=C1)COCCCS(=O)(=O)N

InChI

InChI=1S/C10H15NO3S/c11-15(12,13)8-4-7-14-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H2,11,12,13)

InChIKey

CEDLTMJLYPFHDB-UHFFFAOYSA-N

Compound name

3-phenylmethoxypropane-1-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 229.07727 Da
Monoisotopic Mass: 0.6
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]+	230.084546	149.1
[M+Na]+	252.066488	156.0
[M-H]-	228.069994	152.0
[M+NH4]+	247.111093	166.9
[M+K]+	268.040428	152.8
[M+H-H2O]+	212.074530	142.7
[M+HCOO]-	274.075471	167.9
[M+CH3COO]-	288.091121	187.1
[M+Na-2H]-	250.051936	153.6
[M]+	229.07672142	152.0
[M]-	229.07781858	152.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe