CID 199011

Brn 1482507

Structural Information

Molecular Formula
C16H23NO3
SMILES
CC1CN(CCC1=O)CCC2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C16H23NO3/c1-12-11-17(9-7-14(12)18)8-6-13-4-5-15(19-2)16(10-13)20-3/h4-5,10,12H,6-9,11H2,1-3H3
InChIKey
NOHZWMDXAWRJTG-UHFFFAOYSA-N
Compound name
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.1678 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.17508 165.4
[M+Na]+ 300.15702 171.9
[M-H]- 276.16052 170.3
[M+NH4]+ 295.20162 180.5
[M+K]+ 316.13096 169.2
[M+H-H2O]+ 260.16506 157.1
[M+HCOO]- 322.16600 184.3
[M+CH3COO]- 336.18165 201.7
[M+Na-2H]- 298.14247 166.7
[M]+ 277.16725 166.6
[M]- 277.16835 166.6
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.