CID 73433

2,5-dimethylpiperazine-1,4-diethanol

Structural Information

Molecular Formula

C₁₀H₂₂N₂O₂

SMILES

CC1CN(C(CN1CCO)C)CCO

InChI

InChI=1S/C10H22N2O2/c1-9-7-12(4-6-14)10(2)8-11(9)3-5-13/h9-10,13-14H,3-8H2,1-2H3

InChIKey

VVURKMSVSTUWJQ-UHFFFAOYSA-N

Compound name

2-[4-(2-hydroxyethyl)-2,5-dimethylpiperazin-1-yl]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 70
Patents: 202.16812 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]+	203.17540	150.6
[M+Na]+	225.15734	156.4
[M-H]-	201.16084	148.1
[M+NH4]+	220.20194	166.2
[M+K]+	241.13128	153.9
[M+H-H2O]+	185.16538	143.8
[M+HCOO]-	247.16632	165.1
[M+CH3COO]-	261.18197	183.2
[M+Na-2H]-	223.14279	152.0
[M]+	202.16757	147.9
[M]-	202.16867	147.9

Literature stripe

literature stripe

Patent stripe

patents stripe