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

3
Annotation Hits: 0
References: 123
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]+	203.048486	138.9
[M+Na]+	225.030428	147.4
[M-H]-	201.033934	141.4
[M+NH4]+	220.075033	157.2
[M+K]+	241.004368	143.9
[M+H-H2O]+	185.038470	133.2
[M+HCOO]-	247.039411	157.9
[M+CH3COO]-	261.055061	183.2
[M+Na-2H]-	223.015876	143.6
[M]+	202.04066142	138.8
[M]-	202.04175858	138.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe