CID 58884

101756-60-9

Structural Information

Molecular Formula
C20H25NO3
SMILES
CN1CCC=C(C1)COC(=O)C(C2=CCCC2)(C3=CC=CC=C3)O
InChI
InChI=1S/C20H25NO3/c1-21-13-7-8-16(14-21)15-24-19(22)20(23,18-11-5-6-12-18)17-9-3-2-4-10-17/h2-4,8-11,23H,5-7,12-15H2,1H3
InChIKey
UIVUBIIWSFBDLD-UHFFFAOYSA-N
Compound name
(1-methyl-3,6-dihydro-2H-pyridin-5-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 179.5
[M+Na]+ 350.17266 182.1
[M-H]- 326.17616 185.3
[M+NH4]+ 345.21726 192.2
[M+K]+ 366.14660 178.2
[M+H-H2O]+ 310.18070 170.7
[M+HCOO]- 372.18164 195.0
[M+CH3COO]- 386.19729 203.9
[M+Na-2H]- 348.15811 179.8
[M]+ 327.18289 175.9
[M]- 327.18399 175.9
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.