CID 137966024

Ethyl 2-amino-5-(2-ethoxy-2-oxoethyl)benzoate hydrochloride

Structural Information

Molecular Formula
C13H17NO4
SMILES
CCOC(=O)CC1=CC(=C(C=C1)N)C(=O)OCC
InChI
InChI=1S/C13H17NO4/c1-3-17-12(15)8-9-5-6-11(14)10(7-9)13(16)18-4-2/h5-7H,3-4,8,14H2,1-2H3
InChIKey
RACFQGDGCBUOOT-UHFFFAOYSA-N
Compound name
ethyl 2-amino-5-(2-ethoxy-2-oxoethyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.11575 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.12303 156.9
[M+Na]+ 274.10497 163.5
[M-H]- 250.10847 160.1
[M+NH4]+ 269.14957 173.7
[M+K]+ 290.07891 162.3
[M+H-H2O]+ 234.11301 150.1
[M+HCOO]- 296.11395 179.8
[M+CH3COO]- 310.12960 196.9
[M+Na-2H]- 272.09042 158.3
[M]+ 251.11520 160.2
[M]- 251.11630 160.2
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

No patent data available for this compound.