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]+ 316.19072 173.2
[M+Na]+ 338.17266 174.5
[M-H]- 314.17616 178.3
[M+NH4]+ 333.21726 178.3
[M+K]+ 354.14660 174.5
[M+H-H2O]+ 298.18070 158.9
[M+HCOO]- 360.18164 186.6
[M+CH3COO]- 374.19729 205.8
[M+Na-2H]- 336.15811 174.8
[M]+ 315.18289 178.2
[M]- 315.18399 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.