CID 3046382

N-allyl-3-(3',4'-dihydroxyphenyl)piperidine hydrobromide

Structural Information

Molecular Formula
C14H19NO2
SMILES
C=CCN1CCCC(C1)C2=CC(=C(C=C2)O)O
InChI
InChI=1S/C14H19NO2/c1-2-7-15-8-3-4-12(10-15)11-5-6-13(16)14(17)9-11/h2,5-6,9,12,16-17H,1,3-4,7-8,10H2
InChIKey
VYLWJMLLFOBCFM-UHFFFAOYSA-N
Compound name
4-(1-prop-2-enylpiperidin-3-yl)benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

233.14159 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.148866 154.9
[M+Na]+ 256.130808 160.6
[M-H]- 232.134314 157.0
[M+NH4]+ 251.175413 170.1
[M+K]+ 272.104748 155.9
[M+H-H2O]+ 216.138850 147.6
[M+HCOO]- 278.139791 171.2
[M+CH3COO]- 292.155441 187.3
[M+Na-2H]- 254.116256 156.9
[M]+ 233.14104142 149.8
[M]- 233.14213858 149.8
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