CID 54190

4-hydroxy-3-morpholinomethylbenzoic acid ethyl ester

Structural Information

Molecular Formula
C14H19NO4
SMILES
CCOC(=O)C1=CC(=C(C=C1)O)CN2CCOCC2
InChI
InChI=1S/C14H19NO4/c1-2-19-14(17)11-3-4-13(16)12(9-11)10-15-5-7-18-8-6-15/h3-4,9,16H,2,5-8,10H2,1H3
InChIKey
LHTGLKDOIOFXHF-UHFFFAOYSA-N
Compound name
ethyl 4-hydroxy-3-(morpholin-4-ylmethyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1314 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.13868 161.0
[M+Na]+ 288.12062 165.9
[M-H]- 264.12412 164.9
[M+NH4]+ 283.16522 173.9
[M+K]+ 304.09456 164.7
[M+H-H2O]+ 248.12866 152.8
[M+HCOO]- 310.12960 177.4
[M+CH3COO]- 324.14525 193.2
[M+Na-2H]- 286.10607 163.9
[M]+ 265.13085 160.2
[M]- 265.13195 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.