CID 16769869

3-[(dimethylcarbamoyl)methoxy]benzoic acid

Structural Information

Molecular Formula
C11H13NO4
SMILES
CN(C)C(=O)COC1=CC=CC(=C1)C(=O)O
InChI
InChI=1S/C11H13NO4/c1-12(2)10(13)7-16-9-5-3-4-8(6-9)11(14)15/h3-6H,7H2,1-2H3,(H,14,15)
InChIKey
AKJPSGWLPLHZAS-UHFFFAOYSA-N
Compound name
3-[2-(dimethylamino)-2-oxoethoxy]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

223.08446 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.09174 147.3
[M+Na]+ 246.07368 153.6
[M-H]- 222.07718 151.1
[M+NH4]+ 241.11828 165.1
[M+K]+ 262.04762 153.6
[M+H-H2O]+ 206.08172 140.8
[M+HCOO]- 268.08266 170.6
[M+CH3COO]- 282.09831 191.8
[M+Na-2H]- 244.05913 150.4
[M]+ 223.08391 150.0
[M]- 223.08501 150.0
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

patents stripe