CID 90019463

Methyl 4-carbamoyl-2-methoxybenzoate

Structural Information

Molecular Formula
C10H11NO4
SMILES
COC1=C(C=CC(=C1)C(=O)N)C(=O)OC
InChI
InChI=1S/C10H11NO4/c1-14-8-5-6(9(11)12)3-4-7(8)10(13)15-2/h3-5H,1-2H3,(H2,11,12)
InChIKey
GXXOWHAUABVVRT-UHFFFAOYSA-N
Compound name
methyl 4-carbamoyl-2-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

209.0688 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.076076 142.6
[M+Na]+ 232.058018 150.4
[M-H]- 208.061524 146.3
[M+NH4]+ 227.102623 161.0
[M+K]+ 248.031958 149.9
[M+H-H2O]+ 192.066060 136.4
[M+HCOO]- 254.067001 166.5
[M+CH3COO]- 268.082651 188.5
[M+Na-2H]- 230.043466 145.7
[M]+ 209.06825142 144.9
[M]- 209.06934858 144.9
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

patents stripe