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

15
Patents

255.11067 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.117946 154.6
[M+Na]+ 278.099888 163.2
[M-H]- 254.103394 158.6
[M+NH4]+ 273.144493 171.9
[M+K]+ 294.073828 163.1
[M+H-H2O]+ 238.107930 148.1
[M+HCOO]- 300.108871 178.8
[M+CH3COO]- 314.124521 199.2
[M+Na-2H]- 276.085336 156.6
[M]+ 255.11012142 161.3
[M]- 255.11121858 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.