CID 64980953

1-(furan-2-carbonyl)-3-methylpiperazine

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂

SMILES

CC1CN(CCN1)C(=O)C2=CC=CO2

InChI

InChI=1S/C10H14N2O2/c1-8-7-12(5-4-11-8)10(13)9-3-2-6-14-9/h2-3,6,8,11H,4-5,7H2,1H3

InChIKey

HCSDYDJYVLRACX-UHFFFAOYSA-N

Compound name

furan-2-yl-(3-methylpiperazin-1-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 194.10553 Da
Monoisotopic Mass: 0.6
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]+	195.112806	143.4
[M+Na]+	217.094748	149.1
[M-H]-	193.098254	146.1
[M+NH4]+	212.139353	159.4
[M+K]+	233.068688	147.8
[M+H-H2O]+	177.102790	135.7
[M+HCOO]-	239.103731	160.1
[M+CH3COO]-	253.119381	178.3
[M+Na-2H]-	215.080196	146.2
[M]+	194.10498142	139.1
[M]-	194.10607858	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe