CID 4740811

85858-94-2

Structural Information

Molecular Formula

C₁₂H₁₆N₂O₂

SMILES

CN1CCN(CC1)C(=O)C2=CC=C(C=C2)O

InChI

InChI=1S/C12H16N2O2/c1-13-6-8-14(9-7-13)12(16)10-2-4-11(15)5-3-10/h2-5,15H,6-9H2,1H3

InChIKey

NGNUDVSZXGEJKN-UHFFFAOYSA-N

Compound name

(4-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 89
Patents: 220.12119 Da
Monoisotopic Mass: 0.0
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]+	221.12847	150.6
[M+Na]+	243.11041	156.4
[M-H]-	219.11391	152.7
[M+NH4]+	238.15501	165.3
[M+K]+	259.08435	153.4
[M+H-H2O]+	203.11845	142.2
[M+HCOO]-	265.11939	166.8
[M+CH3COO]-	279.13504	185.6
[M+Na-2H]-	241.09586	153.6
[M]+	220.12064	146.1
[M]-	220.12174	146.1

Literature stripe

literature stripe

Patent stripe

patents stripe