CID 3062454

Piperidine, 1-(3,4-dihydroxybenzoyl)-

Structural Information

Molecular Formula
C12H15NO3
SMILES
C1CCN(CC1)C(=O)C2=CC(=C(C=C2)O)O
InChI
InChI=1S/C12H15NO3/c14-10-5-4-9(8-11(10)15)12(16)13-6-2-1-3-7-13/h4-5,8,14-15H,1-3,6-7H2
InChIKey
WGJXCMGRMCLRGS-UHFFFAOYSA-N
Compound name
(3,4-dihydroxyphenyl)-piperidin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

221.1052 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.11248 149.2
[M+Na]+ 244.09442 154.5
[M-H]- 220.09792 151.4
[M+NH4]+ 239.13902 164.5
[M+K]+ 260.06836 151.4
[M+H-H2O]+ 204.10246 142.0
[M+HCOO]- 266.10340 165.4
[M+CH3COO]- 280.11905 182.5
[M+Na-2H]- 242.07987 151.8
[M]+ 221.10465 143.8
[M]- 221.10575 143.8
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