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]+ 292.154336 167.5
[M+Na]+ 314.136278 172.3
[M-H]- 290.139784 170.9
[M+NH4]+ 309.180883 180.7
[M+K]+ 330.110218 169.8
[M+H-H2O]+ 274.144320 159.5
[M+HCOO]- 336.145261 183.3
[M+CH3COO]- 350.160911 200.5
[M+Na-2H]- 312.121726 166.8
[M]+ 291.14651142 165.9
[M]- 291.14760858 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.