CID 469987

1,4-piperazinediethanol, beta,beta'-diethyl-, d-

Structural Information

Molecular Formula

C₁₂H₂₆N₂O₂

SMILES

CCC(CO)N1CCN(CC1)C(CC)CO

InChI

InChI=1S/C12H26N2O2/c1-3-11(9-15)13-5-7-14(8-6-13)12(4-2)10-16/h11-12,15-16H,3-10H2,1-2H3

InChIKey

LESVKKZDIIVDFA-UHFFFAOYSA-N

Compound name

2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]butan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 230.19943 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]+	231.206706	159.8
[M+Na]+	253.188648	162.3
[M-H]-	229.192154	156.3
[M+NH4]+	248.233253	173.5
[M+K]+	269.162588	160.3
[M+H-H2O]+	213.196690	152.3
[M+HCOO]-	275.197631	171.7
[M+CH3COO]-	289.213281	188.6
[M+Na-2H]-	251.174096	159.2
[M]+	230.19888142	155.7
[M]-	230.19997858	155.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.