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]+ 304.19072 175.4
[M+Na]+ 326.17266 187.1
[M+NH4]+ 321.21726 182.8
[M+K]+ 342.14660 182.7
[M-H]- 302.17616 185.2
[M+Na-2H]- 324.15811 183.8
[M]+ 303.18289 180.8
[M]- 303.18399 180.8
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.