CID 695047

83846-67-7

Structural Information

Molecular Formula
C11H13NO4
SMILES
CCOC(=O)NC1=CC=CC=C1C(=O)OC
InChI
InChI=1S/C11H13NO4/c1-3-16-11(14)12-9-7-5-4-6-8(9)10(13)15-2/h4-7H,3H2,1-2H3,(H,12,14)
InChIKey
XSEONJBZTZZGCV-UHFFFAOYSA-N
Compound name
methyl 2-(ethoxycarbonylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

32
Patents

223.08446 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.091736 147.7
[M+Na]+ 246.073678 154.4
[M-H]- 222.077184 151.5
[M+NH4]+ 241.118283 165.7
[M+K]+ 262.047618 153.9
[M+H-H2O]+ 206.081720 141.1
[M+HCOO]- 268.082661 172.0
[M+CH3COO]- 282.098311 189.5
[M+Na-2H]- 244.059126 152.0
[M]+ 223.08391142 150.8
[M]- 223.08500858 150.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe