CID 20120457

3-methoxy-4-[(methylcarbamoyl)methoxy]benzoic acid

Structural Information

Molecular Formula
C11H13NO5
SMILES
CNC(=O)COC1=C(C=C(C=C1)C(=O)O)OC
InChI
InChI=1S/C11H13NO5/c1-12-10(13)6-17-8-4-3-7(11(14)15)5-9(8)16-2/h3-5H,6H2,1-2H3,(H,12,13)(H,14,15)
InChIKey
GNWQCOSXAHXKNU-UHFFFAOYSA-N
Compound name
3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

239.07938 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.08666 149.8
[M+Na]+ 262.06860 156.5
[M-H]- 238.07210 152.3
[M+NH4]+ 257.11320 166.4
[M+K]+ 278.04254 155.9
[M+H-H2O]+ 222.07664 143.3
[M+HCOO]- 284.07758 172.7
[M+CH3COO]- 298.09323 191.9
[M+Na-2H]- 260.05405 153.0
[M]+ 239.07883 153.0
[M]- 239.07993 153.0
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