CID 45612

63938-75-0

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]+ 308.185616 173.6
[M+Na]+ 330.167558 177.3
[M-H]- 306.171064 177.5
[M+NH4]+ 325.212163 186.6
[M+K]+ 346.141498 175.4
[M+H-H2O]+ 290.175600 164.4
[M+HCOO]- 352.176541 191.3
[M+CH3COO]- 366.192191 204.5
[M+Na-2H]- 328.153006 174.5
[M]+ 307.17779142 175.0
[M]- 307.17888858 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.