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]+ 240.086656 149.8
[M+Na]+ 262.068598 156.5
[M-H]- 238.072104 152.3
[M+NH4]+ 257.113203 166.4
[M+K]+ 278.042538 155.9
[M+H-H2O]+ 222.076640 143.3
[M+HCOO]- 284.077581 172.7
[M+CH3COO]- 298.093231 191.9
[M+Na-2H]- 260.054046 153.0
[M]+ 239.07883142 153.0
[M]- 239.07992858 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