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

83
Patents

202.04121 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.04849 138.9
[M+Na]+ 225.03043 147.4
[M-H]- 201.03393 141.4
[M+NH4]+ 220.07503 157.2
[M+K]+ 241.00437 143.9
[M+H-H2O]+ 185.03847 133.2
[M+HCOO]- 247.03941 157.9
[M+CH3COO]- 261.05506 183.2
[M+Na-2H]- 223.01588 143.6
[M]+ 202.04066 138.8
[M]- 202.04176 138.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe