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]+ 308.14925 170.5
[M+Na]+ 330.13119 174.1
[M-H]- 306.13469 173.4
[M+NH4]+ 325.17579 182.5
[M+K]+ 346.10513 172.2
[M+H-H2O]+ 290.13923 161.9
[M+HCOO]- 352.14017 186.4
[M+CH3COO]- 366.15582 201.4
[M+Na-2H]- 328.11664 170.6
[M]+ 307.14142 169.9
[M]- 307.14252 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.