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

31
Patents

219.12593 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.133206 149.3
[M+Na]+ 242.115148 155.3
[M-H]- 218.118654 154.0
[M+NH4]+ 237.159753 166.2
[M+K]+ 258.089088 152.7
[M+H-H2O]+ 202.123190 141.3
[M+HCOO]- 264.124131 169.0
[M+CH3COO]- 278.139781 188.2
[M+Na-2H]- 240.100596 153.5
[M]+ 219.12538142 147.2
[M]- 219.12647858 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