CID 214257

27922-39-0

Structural Information

Molecular Formula
C14H19NO3
SMILES
CC(C(=O)C1=CC(=C(C=C1)O)O)N2CCCCC2
InChI
InChI=1S/C14H19NO3/c1-10(15-7-3-2-4-8-15)14(18)11-5-6-12(16)13(17)9-11/h5-6,9-10,16-17H,2-4,7-8H2,1H3
InChIKey
DIGTYXWSMJMTLM-UHFFFAOYSA-N
Compound name
1-(3,4-dihydroxyphenyl)-2-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

249.13649 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.14377 157.7
[M+Na]+ 272.12571 161.8
[M-H]- 248.12921 159.6
[M+NH4]+ 267.17031 171.7
[M+K]+ 288.09965 158.8
[M+H-H2O]+ 232.13375 150.3
[M+HCOO]- 294.13469 172.3
[M+CH3COO]- 308.15034 190.1
[M+Na-2H]- 270.11116 158.2
[M]+ 249.13594 152.5
[M]- 249.13704 152.5
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