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

2
Patents

275.15213 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.159406 165.1
[M+Na]+ 298.141348 170.3
[M-H]- 274.144854 168.4
[M+NH4]+ 293.185953 179.1
[M+K]+ 314.115288 166.6
[M+H-H2O]+ 258.149390 157.1
[M+HCOO]- 320.150331 181.7
[M+CH3COO]- 334.165981 197.4
[M+Na-2H]- 296.126796 165.5
[M]+ 275.15158142 162.7
[M]- 275.15267858 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

patents stripe