CID 171342

N-methyl-4-piperidylcyclobutylphenyl glycolate

Structural Information

Molecular Formula
C18H25NO3
SMILES
CN1CCC(CC1)OC(=O)C(C2CCC2)(C3=CC=CC=C3)O
InChI
InChI=1S/C18H25NO3/c1-19-12-10-16(11-13-19)22-17(20)18(21,15-8-5-9-15)14-6-3-2-4-7-14/h2-4,6-7,15-16,21H,5,8-13H2,1H3
InChIKey
LOBGXFLATZQVKC-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-4-yl) 2-cyclobutyl-2-hydroxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

303.18344 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.19072 169.5
[M+Na]+ 326.17266 170.3
[M-H]- 302.17616 174.4
[M+NH4]+ 321.21726 175.0
[M+K]+ 342.14660 170.7
[M+H-H2O]+ 286.18070 155.5
[M+HCOO]- 348.18164 181.9
[M+CH3COO]- 362.19729 203.3
[M+Na-2H]- 324.15811 170.7
[M]+ 303.18289 172.8
[M]- 303.18399 172.8
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.