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

81
Patents

229.04088 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.048156 146.1
[M+Na]+ 252.030098 153.5
[M-H]- 228.033604 148.9
[M+NH4]+ 247.074703 163.7
[M+K]+ 268.004038 151.4
[M+H-H2O]+ 212.038140 140.0
[M+HCOO]- 274.039081 163.9
[M+CH3COO]- 288.054731 187.5
[M+Na-2H]- 250.015546 147.5
[M]+ 229.04033142 149.2
[M]- 229.04142858 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