CID 58800

101710-93-4

Structural Information

Molecular Formula
C18H23NO3
SMILES
CN1CCC(=CC1)COC(=O)C(C2CC2)(C3=CC=CC=C3)O
InChI
InChI=1S/C18H23NO3/c1-19-11-9-14(10-12-19)13-22-17(20)18(21,16-7-8-16)15-5-3-2-4-6-15/h2-6,9,16,21H,7-8,10-13H2,1H3
InChIKey
LIRIPMJTUDTBLX-UHFFFAOYSA-N
Compound name
(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl 2-cyclopropyl-2-hydroxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.1678 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.17508 174.9
[M+Na]+ 324.15702 187.5
[M+NH4]+ 319.20162 182.4
[M+K]+ 340.13096 182.8
[M-H]- 300.16052 184.9
[M+Na-2H]- 322.14247 184.1
[M]+ 301.16725 180.6
[M]- 301.16835 180.6
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.