CID 43811046

4-({[1-(tert-butoxycarbonyl)piperidin-4-yl]oxy}methyl)benzoic acid

Structural Information

Molecular Formula
C18H25NO5
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)OCC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C18H25NO5/c1-18(2,3)24-17(22)19-10-8-15(9-11-19)23-12-13-4-6-14(7-5-13)16(20)21/h4-7,15H,8-12H2,1-3H3,(H,20,21)
InChIKey
CGLNCSVUPUKDKT-UHFFFAOYSA-N
Compound name
4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxymethyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.17328 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.180556 179.2
[M+Na]+ 358.162498 182.5
[M-H]- 334.166004 182.1
[M+NH4]+ 353.207103 190.4
[M+K]+ 374.136438 180.9
[M+H-H2O]+ 318.170540 171.2
[M+HCOO]- 380.171481 192.9
[M+CH3COO]- 394.187131 206.5
[M+Na-2H]- 356.147946 179.4
[M]+ 335.17273142 178.7
[M]- 335.17382858 178.7
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.