CID 14179759

116091-63-5

Structural Information

Molecular Formula

C₁₀H₁₃NO₄S

SMILES

CC(=O)CC1=CC(=C(C=C1)OC)S(=O)(=O)N

InChI

InChI=1S/C10H13NO4S/c1-7(12)5-8-3-4-9(15-2)10(6-8)16(11,13)14/h3-4,6H,5H2,1-2H3,(H2,11,13,14)

InChIKey

MQQJFLHZXQRKKJ-UHFFFAOYSA-N

Compound name

2-methoxy-5-(2-oxopropyl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 200
Patents: 243.05653 Da
Monoisotopic Mass: 0.1
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]+	244.06381	152.5
[M+Na]+	266.04575	162.1
[M+NH4]+	261.09035	158.6
[M+K]+	282.01969	156.7
[M-H]-	242.04925	152.4
[M+Na-2H]-	264.03120	156.2
[M]+	243.05598	154.0
[M]-	243.05708	154.0

Literature stripe

literature stripe

Patent stripe

patents stripe