CID 87174

17601-96-6

Structural Information

Molecular Formula

C₈H₁₁NO₄S

SMILES

C1=CC(=C(C=C1S(=O)(=O)CCO)N)O

InChI

InChI=1S/C8H11NO4S/c9-7-5-6(1-2-8(7)11)14(12,13)4-3-10/h1-2,5,10-11H,3-4,9H2

InChIKey

SNUWQQFUPOZCIQ-UHFFFAOYSA-N

Compound name

2-amino-4-(2-hydroxyethylsulfonyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 217.04088 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]+	218.04816	144.6
[M+Na]+	240.03010	153.9
[M+NH4]+	235.07470	150.7
[M+K]+	256.00404	148.8
[M-H]-	216.03360	144.0
[M+Na-2H]-	238.01555	148.1
[M]+	217.04033	145.9
[M]-	217.04143	145.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe