CID 44890831

886365-57-7

Structural Information

Molecular Formula
C17H23NO4
SMILES
C1CC(CN(C1)C(=O)OCC2=CC=CC=C2)CCCC(=O)O
InChI
InChI=1S/C17H23NO4/c19-16(20)10-4-8-14-9-5-11-18(12-14)17(21)22-13-15-6-2-1-3-7-15/h1-3,6-7,14H,4-5,8-13H2,(H,19,20)
InChIKey
CKTKTEQFRVSTPP-UHFFFAOYSA-N
Compound name
4-(1-phenylmethoxycarbonylpiperidin-3-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

305.16272 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.17000 173.1
[M+Na]+ 328.15194 175.6
[M-H]- 304.15544 175.4
[M+NH4]+ 323.19654 185.1
[M+K]+ 344.12588 172.7
[M+H-H2O]+ 288.15998 164.3
[M+HCOO]- 350.16092 188.5
[M+CH3COO]- 364.17657 200.3
[M+Na-2H]- 326.13739 173.1
[M]+ 305.16217 170.8
[M]- 305.16327 170.8
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