CID 91636093

2-[(2-methyloxolan-3-yl)amino]ethan-1-ol

Structural Information

Molecular Formula

C₇H₁₅NO₂

SMILES

CC1C(CCO1)NCCO

InChI

InChI=1S/C7H15NO2/c1-6-7(2-5-10-6)8-3-4-9/h6-9H,2-5H2,1H3

InChIKey

QXVIKVHWCDFMML-UHFFFAOYSA-N

Compound name

2-[(2-methyloxolan-3-yl)amino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 145.11028 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]+	146.117556	131.5
[M+Na]+	168.099498	137.1
[M-H]-	144.103004	133.9
[M+NH4]+	163.144103	152.4
[M+K]+	184.073438	137.2
[M+H-H2O]+	128.107540	126.3
[M+HCOO]-	190.108481	153.4
[M+CH3COO]-	204.124131	173.4
[M+Na-2H]-	166.084946	136.6
[M]+	145.10973142	129.6
[M]-	145.11082858	129.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.