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]+ 234.14887 154.9
[M+Na]+ 256.13081 160.6
[M-H]- 232.13431 157.0
[M+NH4]+ 251.17541 170.1
[M+K]+ 272.10475 155.9
[M+H-H2O]+ 216.13885 147.6
[M+HCOO]- 278.13979 171.2
[M+CH3COO]- 292.15544 187.3
[M+Na-2H]- 254.11626 156.9
[M]+ 233.14104 149.8
[M]- 233.14214 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