CID 11959540

1-[(3-methoxyphenyl)methyl]piperidin-4-one

Structural Information

Molecular Formula
C13H17NO2
SMILES
COC1=CC=CC(=C1)CN2CCC(=O)CC2
InChI
InChI=1S/C13H17NO2/c1-16-13-4-2-3-11(9-13)10-14-7-5-12(15)6-8-14/h2-4,9H,5-8,10H2,1H3
InChIKey
JKWQJPKVFRHUDD-UHFFFAOYSA-N
Compound name
1-[(3-methoxyphenyl)methyl]piperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

219.12593 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 149.3
[M+Na]+ 242.11515 155.3
[M-H]- 218.11865 154.0
[M+NH4]+ 237.15975 166.2
[M+K]+ 258.08909 152.7
[M+H-H2O]+ 202.12319 141.3
[M+HCOO]- 264.12413 169.0
[M+CH3COO]- 278.13978 188.2
[M+Na-2H]- 240.10060 153.5
[M]+ 219.12538 147.2
[M]- 219.12648 147.2
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