CID 59491

102571-16-4

Structural Information

Molecular Formula
C18H25NO3
SMILES
CN1CCCC(C1)OC(=O)C(CC2=CC=CC=C2)(C3CC3)O
InChI
InChI=1S/C18H25NO3/c1-19-11-5-8-16(13-19)22-17(20)18(21,15-9-10-15)12-14-6-3-2-4-7-14/h2-4,6-7,15-16,21H,5,8-13H2,1H3
InChIKey
BFVRZRLPMIQNMG-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-3-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 171.9
[M+Na]+ 326.17266 176.4
[M-H]- 302.17616 178.1
[M+NH4]+ 321.21726 179.6
[M+K]+ 342.14660 172.7
[M+H-H2O]+ 286.18070 163.6
[M+HCOO]- 348.18164 186.9
[M+CH3COO]- 362.19729 203.2
[M+Na-2H]- 324.15811 174.1
[M]+ 303.18289 170.8
[M]- 303.18399 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.