CID 56541

93101-34-9

Structural Information

Molecular Formula
C20H25NO3
SMILES
CN1CCC(=CC1)COC(=O)C(C2=CCCC2)(C3=CC=CC=C3)O
InChI
InChI=1S/C20H25NO3/c1-21-13-11-16(12-14-21)15-24-19(22)20(23,18-9-5-6-10-18)17-7-3-2-4-8-17/h2-4,7-9,11,23H,5-6,10,12-15H2,1H3
InChIKey
BAGNPUVOSGJQFR-UHFFFAOYSA-N
Compound name
(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl 2-(cyclopenten-1-yl)-2-hydroxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.18344 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.19072 179.9
[M+Na]+ 350.17266 190.3
[M+NH4]+ 345.21726 186.8
[M+K]+ 366.14660 186.1
[M-H]- 326.17616 183.3
[M+Na-2H]- 348.15811 186.6
[M]+ 327.18289 182.2
[M]- 327.18399 182.2
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.