CID 45612

2-ethoxy-3-methoxybenzoic acid 2-piperidinoethyl ester hydrochloride

Structural Information

Molecular Formula
C17H25NO4
SMILES
CCOC1=C(C=CC=C1OC)C(=O)OCCN2CCCCC2
InChI
InChI=1S/C17H25NO4/c1-3-21-16-14(8-7-9-15(16)20-2)17(19)22-13-12-18-10-5-4-6-11-18/h7-9H,3-6,10-13H2,1-2H3
InChIKey
JMPWEKUZYGXUDQ-UHFFFAOYSA-N
Compound name
2-piperidin-1-ylethyl 2-ethoxy-3-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.17834 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.18562 173.6
[M+Na]+ 330.16756 177.3
[M-H]- 306.17106 177.5
[M+NH4]+ 325.21216 186.6
[M+K]+ 346.14150 175.4
[M+H-H2O]+ 290.17560 164.4
[M+HCOO]- 352.17654 191.3
[M+CH3COO]- 366.19219 204.5
[M+Na-2H]- 328.15301 174.5
[M]+ 307.17779 175.0
[M]- 307.17889 175.0
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.