CID 7131328

4-(carbamoylmethoxy)-3,5-dimethoxybenzoic acid

Structural Information

Molecular Formula
C11H13NO6
SMILES
COC1=CC(=CC(=C1OCC(=O)N)OC)C(=O)O
InChI
InChI=1S/C11H13NO6/c1-16-7-3-6(11(14)15)4-8(17-2)10(7)18-5-9(12)13/h3-4H,5H2,1-2H3,(H2,12,13)(H,14,15)
InChIKey
KRKRRTKSQZEMLZ-UHFFFAOYSA-N
Compound name
4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

255.07428 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.08156 152.0
[M+Na]+ 278.06350 159.4
[M-H]- 254.06700 154.3
[M+NH4]+ 273.10810 167.7
[M+K]+ 294.03744 159.1
[M+H-H2O]+ 238.07154 145.4
[M+HCOO]- 300.07248 174.3
[M+CH3COO]- 314.08813 195.6
[M+Na-2H]- 276.04895 153.5
[M]+ 255.07373 156.1
[M]- 255.07483 156.1
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

No patent data available for this compound.