CID 4962590

2-((dimethylcarbamoyl)methoxy)benzoic acid

Structural Information

Molecular Formula
C11H13NO4
SMILES
CN(C)C(=O)COC1=CC=CC=C1C(=O)O
InChI
InChI=1S/C11H13NO4/c1-12(2)10(13)7-16-9-6-4-3-5-8(9)11(14)15/h3-6H,7H2,1-2H3,(H,14,15)
InChIKey
SRYMWAUZDOJACZ-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)-2-oxoethoxy]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

223.08446 Da
Monoisotopic Mass

1.1
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

literature stripe

Patent stripe

patents stripe