CID 58881

101756-56-3

Structural Information

Molecular Formula
C19H25NO3
SMILES
CN1CCC(=CC1)COC(=O)C(C2CCC2)(C3=CC=CC=C3)O
InChI
InChI=1S/C19H25NO3/c1-20-12-10-15(11-13-20)14-23-18(21)19(22,17-8-5-9-17)16-6-3-2-4-7-16/h2-4,6-7,10,17,22H,5,8-9,11-14H2,1H3
InChIKey
ZHNXDBQRAJZVDJ-UHFFFAOYSA-N
Compound name
(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl 2-cyclobutyl-2-hydroxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.18344 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.190716 173.2
[M+Na]+ 338.172658 174.5
[M-H]- 314.176164 178.3
[M+NH4]+ 333.217263 178.3
[M+K]+ 354.146598 174.5
[M+H-H2O]+ 298.180700 158.9
[M+HCOO]- 360.181641 186.6
[M+CH3COO]- 374.197291 205.8
[M+Na-2H]- 336.158106 174.8
[M]+ 315.18289142 178.2
[M]- 315.18398858 178.2
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.