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

14
Patents

221.1052 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.112476 149.2
[M+Na]+ 244.094418 154.5
[M-H]- 220.097924 151.4
[M+NH4]+ 239.139023 164.5
[M+K]+ 260.068358 151.4
[M+H-H2O]+ 204.102460 142.0
[M+HCOO]- 266.103401 165.4
[M+CH3COO]- 280.119051 182.5
[M+Na-2H]- 242.079866 151.8
[M]+ 221.10465142 143.8
[M]- 221.10574858 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