CID 2740588

25519-82-8

Structural Information

Molecular Formula
C13H17NO2
SMILES
COC1=CC=C(C=C1)C(=O)C2CCNCC2
InChI
InChI=1S/C13H17NO2/c1-16-12-4-2-10(3-5-12)13(15)11-6-8-14-9-7-11/h2-5,11,14H,6-9H2,1H3
InChIKey
ZYKYHSIACDLOCE-UHFFFAOYSA-N
Compound name
(4-methoxyphenyl)-piperidin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

325
Patents

219.12593 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.133206 150.2
[M+Na]+ 242.115148 154.5
[M-H]- 218.118654 153.1
[M+NH4]+ 237.159753 165.9
[M+K]+ 258.089088 151.4
[M+H-H2O]+ 202.123190 142.3
[M+HCOO]- 264.124131 167.3
[M+CH3COO]- 278.139781 185.3
[M+Na-2H]- 240.100596 153.4
[M]+ 219.12538142 145.1
[M]- 219.12647858 145.1
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