CID 2794649

162046-56-2

Structural Information

Molecular Formula
C17H23NO5
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C17H23NO5/c1-17(2,3)23-16(21)18-10-8-14(9-11-18)22-13-6-4-12(5-7-13)15(19)20/h4-7,14H,8-11H2,1-3H3,(H,19,20)
InChIKey
LUVXDMFUUZGFST-UHFFFAOYSA-N
Compound name
4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

145
Patents

321.15762 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.16490 174.7
[M+Na]+ 344.14684 178.4
[M-H]- 320.15034 177.8
[M+NH4]+ 339.19144 186.5
[M+K]+ 360.12078 177.0
[M+H-H2O]+ 304.15488 166.8
[M+HCOO]- 366.15582 188.7
[M+CH3COO]- 380.17147 203.5
[M+Na-2H]- 342.13229 175.4
[M]+ 321.15707 173.9
[M]- 321.15817 173.9
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

patents stripe