CID 3695464

170838-83-2

Structural Information

Molecular Formula
C18H25NO4
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)(CC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C18H25NO4/c1-17(2,3)23-16(22)19-11-7-10-18(13-19,15(20)21)12-14-8-5-4-6-9-14/h4-6,8-9H,7,10-13H2,1-3H3,(H,20,21)
InChIKey
SLWITFDUIZLEJL-UHFFFAOYSA-N
Compound name
3-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

319.17834 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.18562 176.9
[M+Na]+ 342.16756 180.5
[M-H]- 318.17106 179.8
[M+NH4]+ 337.21216 190.7
[M+K]+ 358.14150 178.5
[M+H-H2O]+ 302.17560 169.6
[M+HCOO]- 364.17654 190.4
[M+CH3COO]- 378.19219 202.5
[M+Na-2H]- 340.15301 178.8
[M]+ 319.17779 174.9
[M]- 319.17889 174.9
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

patents stripe