CID 56603

93227-74-8

Structural Information

Molecular Formula
C11H15NO5
SMILES
COC1=C(C(=C(C=C1)C(CN)O)C(=O)O)OC
InChI
InChI=1S/C11H15NO5/c1-16-8-4-3-6(7(13)5-12)9(11(14)15)10(8)17-2/h3-4,7,13H,5,12H2,1-2H3,(H,14,15)
InChIKey
WHKSFIIHAJSNEP-UHFFFAOYSA-N
Compound name
6-(2-amino-1-hydroxyethyl)-2,3-dimethoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

241.09502 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.102296 151.7
[M+Na]+ 264.084238 158.6
[M-H]- 240.087744 152.6
[M+NH4]+ 259.128843 167.5
[M+K]+ 280.058178 157.4
[M+H-H2O]+ 224.092280 145.6
[M+HCOO]- 286.093221 172.2
[M+CH3COO]- 300.108871 191.8
[M+Na-2H]- 262.069686 152.5
[M]+ 241.09447142 153.2
[M]- 241.09556858 153.2
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

No patent data available for this compound.