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]+ 328.190716 179.5
[M+Na]+ 350.172658 182.1
[M-H]- 326.176164 185.3
[M+NH4]+ 345.217263 192.2
[M+K]+ 366.146598 178.2
[M+H-H2O]+ 310.180700 170.7
[M+HCOO]- 372.181641 195.0
[M+CH3COO]- 386.197291 203.9
[M+Na-2H]- 348.158106 179.8
[M]+ 327.18289142 175.9
[M]- 327.18398858 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.