CID 3062709

Brn 0230118

Structural Information

Molecular Formula
C14H19NO4
SMILES
COC1=CC(=CC(=C1O)OC)C(=O)N2CCCCC2
InChI
InChI=1S/C14H19NO4/c1-18-11-8-10(9-12(19-2)13(11)16)14(17)15-6-4-3-5-7-15/h8-9,16H,3-7H2,1-2H3
InChIKey
YHEWGLDPOYAQIK-UHFFFAOYSA-N
Compound name
(4-hydroxy-3,5-dimethoxyphenyl)-piperidin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1314 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.13868 160.2
[M+Na]+ 288.12062 165.8
[M-H]- 264.12412 163.8
[M+NH4]+ 283.16522 174.6
[M+K]+ 304.09456 163.8
[M+H-H2O]+ 248.12866 152.2
[M+HCOO]- 310.12960 177.4
[M+CH3COO]- 324.14525 194.4
[M+Na-2H]- 286.10607 161.6
[M]+ 265.13085 159.2
[M]- 265.13195 159.2
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