CID 221611

N-(3,4,5-trimethoxybenzoyl)glycine

Structural Information

Molecular Formula
C12H15NO6
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)NCC(=O)O
InChI
InChI=1S/C12H15NO6/c1-17-8-4-7(12(16)13-6-10(14)15)5-9(18-2)11(8)19-3/h4-5H,6H2,1-3H3,(H,13,16)(H,14,15)
InChIKey
LPQDWMLZTWHXOE-UHFFFAOYSA-N
Compound name
2-[(3,4,5-trimethoxybenzoyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6
Patents

269.08994 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.09722 156.2
[M+Na]+ 292.07916 163.2
[M-H]- 268.08266 158.9
[M+NH4]+ 287.12376 171.7
[M+K]+ 308.05310 163.1
[M+H-H2O]+ 252.08720 149.4
[M+HCOO]- 314.08814 178.9
[M+CH3COO]- 328.10379 198.4
[M+Na-2H]- 290.06461 158.3
[M]+ 269.08939 161.6
[M]- 269.09049 161.6
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