CID 80924

2-amino-5-ethoxybenzenesulphonic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

356
Patents

217.04088 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.048156 142.8
[M+Na]+ 240.030098 151.5
[M-H]- 216.033604 145.3
[M+NH4]+ 235.074703 160.8
[M+K]+ 256.004038 148.6
[M+H-H2O]+ 200.038140 137.2
[M+HCOO]- 262.039081 160.8
[M+CH3COO]- 276.054731 183.2
[M+Na-2H]- 238.015546 146.7
[M]+ 217.04033142 145.3
[M]- 217.04142858 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