CID 2761131

1-(2,6-dimethoxybenzyl)piperidin-4-one

Structural Information

Molecular Formula
C14H19NO3
SMILES
COC1=C(C(=CC=C1)OC)CN2CCC(=O)CC2
InChI
InChI=1S/C14H19NO3/c1-17-13-4-3-5-14(18-2)12(13)10-15-8-6-11(16)7-9-15/h3-5H,6-10H2,1-2H3
InChIKey
RIMZATUVLVIXIP-UHFFFAOYSA-N
Compound name
1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

249.13649 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.14377 156.6
[M+Na]+ 272.12571 163.0
[M-H]- 248.12921 161.5
[M+NH4]+ 267.17031 172.5
[M+K]+ 288.09965 160.7
[M+H-H2O]+ 232.13375 148.4
[M+HCOO]- 294.13469 176.2
[M+CH3COO]- 308.15034 194.4
[M+Na-2H]- 270.11116 159.6
[M]+ 249.13594 156.7
[M]- 249.13704 156.7
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

patents stripe