CID 80773

5-amino-2-ethoxybenzenesulfonic acid

Structural Information

Molecular Formula
C8H11NO4S
SMILES
CCOC1=C(C=C(C=C1)N)S(=O)(=O)O
InChI
InChI=1S/C8H11NO4S/c1-2-13-7-4-3-6(9)5-8(7)14(10,11)12/h3-5H,2,9H2,1H3,(H,10,11,12)
InChIKey
INESHSIZOSSOEI-UHFFFAOYSA-N
Compound name
5-amino-2-ethoxybenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

340
Patents

217.04088 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.04816 142.8
[M+Na]+ 240.03010 151.5
[M-H]- 216.03360 145.3
[M+NH4]+ 235.07470 160.8
[M+K]+ 256.00404 148.6
[M+H-H2O]+ 200.03814 137.2
[M+HCOO]- 262.03908 160.8
[M+CH3COO]- 276.05473 183.2
[M+Na-2H]- 238.01555 146.7
[M]+ 217.04033 145.3
[M]- 217.04143 145.3
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