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

20
Patents

209.0688 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.07608 142.6
[M+Na]+ 232.05802 150.4
[M-H]- 208.06152 146.3
[M+NH4]+ 227.10262 161.0
[M+K]+ 248.03196 149.9
[M+H-H2O]+ 192.06606 136.4
[M+HCOO]- 254.06700 166.5
[M+CH3COO]- 268.08265 188.5
[M+Na-2H]- 230.04347 145.7
[M]+ 209.06825 144.9
[M]- 209.06935 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