CID 3046380

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

Structural Information

Molecular Formula

C₁₄H₂₁NO₂

SMILES

CC(C)N1CCCC(C1)C2=CC(=C(C=C2)O)O

InChI

InChI=1S/C14H21NO2/c1-10(2)15-7-3-4-12(9-15)11-5-6-13(16)14(17)8-11/h5-6,8,10,12,16-17H,3-4,7,9H2,1-2H3

InChIKey

ZSSPPZSGDHUIBH-UHFFFAOYSA-N

Compound name

4-(1-propan-2-ylpiperidin-3-yl)benzene-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 235.15723 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	236.164506	156.0
[M+Na]+	258.146448	161.2
[M-H]-	234.149954	158.2
[M+NH4]+	253.191053	171.2
[M+K]+	274.120388	157.6
[M+H-H2O]+	218.154490	148.8
[M+HCOO]-	280.155431	171.2
[M+CH3COO]-	294.171081	189.0
[M+Na-2H]-	256.131896	156.9
[M]+	235.15668142	151.1
[M]-	235.15777858	151.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe