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 170.8
[M+Na]+ 324.15702 176.2
[M-H]- 300.16052 177.3
[M+NH4]+ 319.20162 178.6
[M+K]+ 340.13096 172.2
[M+H-H2O]+ 284.16506 162.4
[M+HCOO]- 346.16600 187.2
[M+CH3COO]- 360.18165 202.8
[M+Na-2H]- 322.14247 173.8
[M]+ 301.16725 171.0
[M]- 301.16835 171.0
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.