CID 58788860

900165-91-5

Structural Information

Molecular Formula

C₈H₁₁NO₄S

SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N)CO

InChI

InChI=1S/C8H11NO4S/c1-13-8-3-2-7(14(9,11)12)4-6(8)5-10/h2-4,10H,5H2,1H3,(H2,9,11,12)

InChIKey

VIPQBIKWDATFSG-UHFFFAOYSA-N

Compound name

3-(hydroxymethyl)-4-methoxybenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 217.04088 Da
Monoisotopic Mass: -0.4
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]+	218.04816	144.6
[M+Na]+	240.03010	154.5
[M+NH4]+	235.07470	151.1
[M+K]+	256.00404	149.1
[M-H]-	216.03360	144.6
[M+Na-2H]-	238.01555	148.7
[M]+	217.04033	146.2
[M]-	217.04143	146.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe