CID 2759329

563538-33-0

Structural Information

Molecular Formula

C₁₁H₁₄N₂O₂

SMILES

C1CN(CCN1)C(=O)C2=CC=C(C=C2)O

InChI

InChI=1S/C11H14N2O2/c14-10-3-1-9(2-4-10)11(15)13-7-5-12-6-8-13/h1-4,12,14H,5-8H2

InChIKey

ODJPRCJSCMHSOS-UHFFFAOYSA-N

Compound name

(4-hydroxyphenyl)-piperazin-1-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 98
Patents: 206.10553 Da
Monoisotopic Mass: 0.4
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]+	207.11281	146.7
[M+Na]+	229.09475	151.6
[M-H]-	205.09825	147.2
[M+NH4]+	224.13935	160.9
[M+K]+	245.06869	147.9
[M+H-H2O]+	189.10279	138.6
[M+HCOO]-	251.10373	161.7
[M+CH3COO]-	265.11938	178.9
[M+Na-2H]-	227.08020	150.5
[M]+	206.10498	139.6
[M]-	206.10608	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe