CID 78735

Methyl 2-amino-3,4,5-trimethoxybenzoate

Structural Information

Molecular Formula
C11H15NO5
SMILES
COC1=C(C(=C(C(=C1)C(=O)OC)N)OC)OC
InChI
InChI=1S/C11H15NO5/c1-14-7-5-6(11(13)17-4)8(12)10(16-3)9(7)15-2/h5H,12H2,1-4H3
InChIKey
UPVUQELOASQBMY-UHFFFAOYSA-N
Compound name
methyl 2-amino-3,4,5-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

100
Patents

241.09502 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.10230 151.5
[M+Na]+ 264.08424 162.3
[M+NH4]+ 259.12884 157.4
[M+K]+ 280.05818 158.6
[M-H]- 240.08774 152.1
[M+Na-2H]- 262.06969 155.3
[M]+ 241.09447 152.9
[M]- 241.09557 152.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe