CID 177799938

4-(1-(tert-butoxycarbonyl)-4-methylpiperidin-4-yl)benzoic acid

Structural Information

Molecular Formula
C18H25NO4
SMILES
CC1(CCN(CC1)C(=O)OC(C)(C)C)C2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C18H25NO4/c1-17(2,3)23-16(22)19-11-9-18(4,10-12-19)14-7-5-13(6-8-14)15(20)21/h5-8H,9-12H2,1-4H3,(H,20,21)
InChIKey
VWWQSXWIJRGQDM-UHFFFAOYSA-N
Compound name
4-[4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.17834 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.185616 175.8
[M+Na]+ 342.167558 180.4
[M-H]- 318.171064 179.2
[M+NH4]+ 337.212163 190.0
[M+K]+ 358.141498 178.5
[M+H-H2O]+ 302.175600 169.0
[M+HCOO]- 364.176541 189.4
[M+CH3COO]- 378.192191 203.8
[M+Na-2H]- 340.153006 177.2
[M]+ 319.17779142 174.4
[M]- 319.17888858 174.4
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.