CID 14747391

2-(2-methylpiperazin-1-yl)ethan-1-ol

Structural Information

Molecular Formula

C₇H₁₆N₂O

SMILES

CC1CNCCN1CCO

InChI

InChI=1S/C7H16N2O/c1-7-6-8-2-3-9(7)4-5-10/h7-8,10H,2-6H2,1H3

InChIKey

SDMNEUXIWBRMPK-UHFFFAOYSA-N

Compound name

2-(2-methylpiperazin-1-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1043
Patents: 144.12627 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]+	145.13355	134.6
[M+Na]+	167.11549	139.8
[M-H]-	143.11899	131.9
[M+NH4]+	162.16009	152.0
[M+K]+	183.08943	137.6
[M+H-H2O]+	127.12353	128.0
[M+HCOO]-	189.12447	150.0
[M+CH3COO]-	203.14012	169.6
[M+Na-2H]-	165.10094	139.0
[M]+	144.12572	128.5
[M]-	144.12682	128.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe