CID 3671480

4-(2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy)benzoic acid

Structural Information

Molecular Formula
C16H21NO4
SMILES
CC1CCCC(N1C(=O)COC2=CC=C(C=C2)C(=O)O)C
InChI
InChI=1S/C16H21NO4/c1-11-4-3-5-12(2)17(11)15(18)10-21-14-8-6-13(7-9-14)16(19)20/h6-9,11-12H,3-5,10H2,1-2H3,(H,19,20)
InChIKey
KWQBRUAGAALBJS-UHFFFAOYSA-N
Compound name
4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

291.14706 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.15434 167.5
[M+Na]+ 314.13628 172.3
[M-H]- 290.13978 170.9
[M+NH4]+ 309.18088 180.7
[M+K]+ 330.11022 169.8
[M+H-H2O]+ 274.14432 159.5
[M+HCOO]- 336.14526 183.3
[M+CH3COO]- 350.16091 200.5
[M+Na-2H]- 312.12173 166.8
[M]+ 291.14651 165.9
[M]- 291.14761 165.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.