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]+ 304.190716 169.5
[M+Na]+ 326.172658 170.3
[M-H]- 302.176164 174.4
[M+NH4]+ 321.217263 175.0
[M+K]+ 342.146598 170.7
[M+H-H2O]+ 286.180700 155.5
[M+HCOO]- 348.181641 181.9
[M+CH3COO]- 362.197291 203.3
[M+Na-2H]- 324.158106 170.7
[M]+ 303.18289142 172.8
[M]- 303.18398858 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

literature stripe

Patent stripe

patents stripe