CID 43379894

4-amino-3-[(dimethylcarbamoyl)methoxy]benzoic acid

Structural Information

Molecular Formula
C11H14N2O4
SMILES
CN(C)C(=O)COC1=C(C=CC(=C1)C(=O)O)N
InChI
InChI=1S/C11H14N2O4/c1-13(2)10(14)6-17-9-5-7(11(15)16)3-4-8(9)12/h3-5H,6,12H2,1-2H3,(H,15,16)
InChIKey
HJTSGYSOZKXASX-UHFFFAOYSA-N
Compound name
4-amino-3-[2-(dimethylamino)-2-oxoethoxy]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.09535 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.10263 151.7
[M+Na]+ 261.08457 157.9
[M-H]- 237.08807 155.2
[M+NH4]+ 256.12917 168.5
[M+K]+ 277.05851 157.8
[M+H-H2O]+ 221.09261 144.9
[M+HCOO]- 283.09355 175.3
[M+CH3COO]- 297.10920 197.7
[M+Na-2H]- 259.07002 153.3
[M]+ 238.09480 152.9
[M]- 238.09590 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.