CID 213577

Fc 58

Structural Information

Molecular Formula
C16H21NO3
SMILES
COC1=CC(=CC(=C1O)C(=O)N2CCCCC2)CC=C
InChI
InChI=1S/C16H21NO3/c1-3-7-12-10-13(15(18)14(11-12)20-2)16(19)17-8-5-4-6-9-17/h3,10-11,18H,1,4-9H2,2H3
InChIKey
WOKVPOVRQUSGHJ-UHFFFAOYSA-N
Compound name
(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)-piperidin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.15213 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.15941 165.1
[M+Na]+ 298.14135 170.3
[M-H]- 274.14485 168.4
[M+NH4]+ 293.18595 179.1
[M+K]+ 314.11529 166.6
[M+H-H2O]+ 258.14939 157.1
[M+HCOO]- 320.15033 181.7
[M+CH3COO]- 334.16598 197.4
[M+Na-2H]- 296.12680 165.5
[M]+ 275.15158 162.7
[M]- 275.15268 162.7
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

No patent data available for this compound.