CID 11959580

1-(4-methoxybenzyl)piperidin-4-one

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
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

literature stripe

Patent stripe

patents stripe