CID 66456

80-23-9

Structural Information

Molecular Formula

C₇H₁₀N₂O₃S

SMILES

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

InChI

InChI=1S/C7H10N2O3S/c1-9-13(11,12)5-2-3-7(10)6(8)4-5/h2-4,9-10H,8H2,1H3

InChIKey

NFNLMGYLSDEJKS-UHFFFAOYSA-N

Compound name

3-amino-4-hydroxy-N-methylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 76
Patents: 202.04121 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]+	203.04849	140.6
[M+Na]+	225.03043	149.8
[M+NH4]+	220.07503	147.3
[M+K]+	241.00437	144.6
[M-H]-	201.03393	141.3
[M+Na-2H]-	223.01588	145.1
[M]+	202.04066	142.3
[M]-	202.04176	142.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe