CID 3046371

62033-46-9

Structural Information

Molecular Formula

C₁₂H₁₇NO₂

SMILES

CN1CCCC(C1)C2=CC(=C(C=C2)O)O

InChI

InChI=1S/C12H17NO2/c1-13-6-2-3-10(8-13)9-4-5-11(14)12(15)7-9/h4-5,7,10,14-15H,2-3,6,8H2,1H3

InChIKey

UWXIEGJSOHTCPF-UHFFFAOYSA-N

Compound name

4-(1-methylpiperidin-3-yl)benzene-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 207.12593 Da
Monoisotopic Mass: 1.8
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]+	208.13321	147.3
[M+Na]+	230.11515	159.8
[M+NH4]+	225.15975	155.4
[M+K]+	246.08909	153.5
[M-H]-	206.11865	150.2
[M+Na-2H]-	228.10060	153.6
[M]+	207.12538	149.7
[M]-	207.12648	149.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe