CID 2412376

731826-96-3

Structural Information

Molecular Formula
C16H21NO5
SMILES
CCOC1=C(C=CC(=C1)C(=O)O)OCC(=O)N2CCCCC2
InChI
InChI=1S/C16H21NO5/c1-2-21-14-10-12(16(19)20)6-7-13(14)22-11-15(18)17-8-4-3-5-9-17/h6-7,10H,2-5,8-9,11H2,1H3,(H,19,20)
InChIKey
ZQQRFYQNXBKLEZ-UHFFFAOYSA-N
Compound name
3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.14197 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.149246 170.5
[M+Na]+ 330.131188 174.1
[M-H]- 306.134694 173.4
[M+NH4]+ 325.175793 182.5
[M+K]+ 346.105128 172.2
[M+H-H2O]+ 290.139230 161.9
[M+HCOO]- 352.140171 186.4
[M+CH3COO]- 366.155821 201.4
[M+Na-2H]- 328.116636 170.6
[M]+ 307.14142142 169.9
[M]- 307.14251858 169.9
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.