CID 25258358

1133725-45-7

Structural Information

Molecular Formula

C₁₀H₁₃NO₆S

SMILES

COC(=O)CCNS(=O)(=O)OC1=CC=CC=C1O

InChI

InChI=1S/C10H13NO6S/c1-16-10(13)6-7-11-18(14,15)17-9-5-3-2-4-8(9)12/h2-5,11-12H,6-7H2,1H3

InChIKey

GYKYERZJFHKSIJ-UHFFFAOYSA-N

Compound name

methyl 3-[(2-hydroxyphenoxy)sulfonylamino]propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 275.04636 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]+	276.05364	156.5
[M+Na]+	298.03558	163.0
[M-H]-	274.03908	158.7
[M+NH4]+	293.08018	171.7
[M+K]+	314.00952	161.1
[M+H-H2O]+	258.04362	149.9
[M+HCOO]-	320.04456	174.1
[M+CH3COO]-	334.06021	192.3
[M+Na-2H]-	296.02103	160.6
[M]+	275.04581	161.7
[M]-	275.04691	161.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.