CID 60837942

Ethyl 6-amino-2,3,4-trimethoxybenzoate hydrochloride

Structural Information

Molecular Formula
C12H17NO5
SMILES
CCOC(=O)C1=C(C(=C(C=C1N)OC)OC)OC
InChI
InChI=1S/C12H17NO5/c1-5-18-12(14)9-7(13)6-8(15-2)10(16-3)11(9)17-4/h6H,5,13H2,1-4H3
InChIKey
WQJHCYMERPBJPG-UHFFFAOYSA-N
Compound name
ethyl 6-amino-2,3,4-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

255.11067 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.11795 154.6
[M+Na]+ 278.09989 163.2
[M-H]- 254.10339 158.6
[M+NH4]+ 273.14449 171.9
[M+K]+ 294.07383 163.1
[M+H-H2O]+ 238.10793 148.1
[M+HCOO]- 300.10887 178.8
[M+CH3COO]- 314.12452 199.2
[M+Na-2H]- 276.08534 156.6
[M]+ 255.11012 161.3
[M]- 255.11122 161.3
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

No patent data available for this compound.