CID 22342910

218594-92-4

Structural Information

Molecular Formula

C₈H₁₇NO₂

SMILES

CC1(COCCN1CCO)C

InChI

InChI=1S/C8H17NO2/c1-8(2)7-11-6-4-9(8)3-5-10/h10H,3-7H2,1-2H3

InChIKey

YTRWCRKQXOMASA-UHFFFAOYSA-N

Compound name

2-(3,3-dimethylmorpholin-4-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 159.12593 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]+	160.133206	135.2
[M+Na]+	182.115148	141.4
[M-H]-	158.118654	136.3
[M+NH4]+	177.159753	154.9
[M+K]+	198.089088	141.8
[M+H-H2O]+	142.123190	129.9
[M+HCOO]-	204.124131	152.5
[M+CH3COO]-	218.139781	174.0
[M+Na-2H]-	180.100596	141.9
[M]+	159.12538142	133.3
[M]-	159.12647858	133.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe