CID 3046210

61832-52-8

Structural Information

Molecular Formula

C₁₁H₁₅NO₂

SMILES

C1CC(CNC1)C2=CC(=C(C=C2)O)O

InChI

InChI=1S/C11H15NO2/c13-10-4-3-8(6-11(10)14)9-2-1-5-12-7-9/h3-4,6,9,12-14H,1-2,5,7H2

InChIKey

UXLLSNYRUTZORA-UHFFFAOYSA-N

Compound name

4-piperidin-3-ylbenzene-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 18
Patents: 193.11028 Da
Monoisotopic Mass: 1.3
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]+	194.11756	143.2
[M+Na]+	216.09950	148.6
[M-H]-	192.10300	144.1
[M+NH4]+	211.14410	159.1
[M+K]+	232.07344	144.3
[M+H-H2O]+	176.10754	136.5
[M+HCOO]-	238.10848	158.9
[M+CH3COO]-	252.12413	175.4
[M+Na-2H]-	214.08495	147.1
[M]+	193.10973	135.6
[M]-	193.11083	135.6

Literature stripe

literature stripe

Patent stripe

patents stripe