CID 287731

Sodium 3-acetamido-4-methoxybenzene-1-sulfinate

Structural Information

Molecular Formula
C9H11NO4S
SMILES
CC(=O)NC1=C(C=CC(=C1)S(=O)O)OC
InChI
InChI=1S/C9H11NO4S/c1-6(11)10-8-5-7(15(12)13)3-4-9(8)14-2/h3-5H,1-2H3,(H,10,11)(H,12,13)
InChIKey
WOYZAIPHFPXHCP-UHFFFAOYSA-N
Compound name
3-acetamido-4-methoxybenzenesulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

229.04088 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.04816 146.1
[M+Na]+ 252.03010 153.5
[M-H]- 228.03360 148.9
[M+NH4]+ 247.07470 163.7
[M+K]+ 268.00404 151.4
[M+H-H2O]+ 212.03814 140.0
[M+HCOO]- 274.03908 163.9
[M+CH3COO]- 288.05473 187.5
[M+Na-2H]- 250.01555 147.5
[M]+ 229.04033 149.2
[M]- 229.04143 149.2
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