CID 4739630

103069-50-7

Structural Information

Molecular Formula

C₉H₂₀N₂O

SMILES

CC(C)N1CCN(CC1)CCO

InChI

InChI=1S/C9H20N2O/c1-9(2)11-5-3-10(4-6-11)7-8-12/h9,12H,3-8H2,1-2H3

InChIKey

KDYNMWFSJAIPSW-UHFFFAOYSA-N

Compound name

2-(4-propan-2-ylpiperazin-1-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 435
Patents: 172.15756 Da
Monoisotopic Mass: 0.2
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]+	173.16484	142.8
[M+Na]+	195.14678	147.4
[M-H]-	171.15028	141.3
[M+NH4]+	190.19138	159.8
[M+K]+	211.12072	146.1
[M+H-H2O]+	155.15482	135.7
[M+HCOO]-	217.15576	158.1
[M+CH3COO]-	231.17141	179.2
[M+Na-2H]-	193.13223	145.5
[M]+	172.15701	138.7
[M]-	172.15811	138.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe