CID 203323

14164-57-9

Structural Information

Molecular Formula
C14H17NO2
SMILES
CC(=O)OC1CN(CC=C1C2=CC=CC=C2)C
InChI
InChI=1S/C14H17NO2/c1-11(16)17-14-10-15(2)9-8-13(14)12-6-4-3-5-7-12/h3-8,14H,9-10H2,1-2H3
InChIKey
MIOQWSQOMBWYPJ-UHFFFAOYSA-N
Compound name
(1-methyl-4-phenyl-3,6-dihydro-2H-pyridin-3-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.12593 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.13321 152.5
[M+Na]+ 254.11515 158.9
[M-H]- 230.11865 157.5
[M+NH4]+ 249.15975 169.0
[M+K]+ 270.08909 156.3
[M+H-H2O]+ 214.12319 144.4
[M+HCOO]- 276.12413 172.3
[M+CH3COO]- 290.13978 191.0
[M+Na-2H]- 252.10060 156.0
[M]+ 231.12538 151.4
[M]- 231.12648 151.4
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.