CID 59492

102571-17-5

Structural Information

Molecular Formula
C18H25NO3
SMILES
CN1CCC(CC1)OC(=O)C(CC2=CC=CC=C2)(C3CC3)O
InChI
InChI=1S/C18H25NO3/c1-19-11-9-16(10-12-19)22-17(20)18(21,15-7-8-15)13-14-5-3-2-4-6-14/h2-6,15-16,21H,7-13H2,1H3
InChIKey
ZCCVLCXSSPLMIZ-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-4-yl) 2-cyclopropyl-2-hydroxy-3-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.18344 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.190716 171.9
[M+Na]+ 326.172658 176.4
[M-H]- 302.176164 178.1
[M+NH4]+ 321.217263 179.6
[M+K]+ 342.146598 172.7
[M+H-H2O]+ 286.180700 163.6
[M+HCOO]- 348.181641 186.9
[M+CH3COO]- 362.197291 203.2
[M+Na-2H]- 324.158106 174.1
[M]+ 303.18289142 170.8
[M]- 303.18398858 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

No patent data available for this compound.