CID 106524

68083-83-0

Structural Information

Molecular Formula

C₇H₁₅NO₃

SMILES

CN(CCO)C(=O)CCCO

InChI

InChI=1S/C7H15NO3/c1-8(4-6-10)7(11)3-2-5-9/h9-10H,2-6H2,1H3

InChIKey

DORXJCORWAVZTD-UHFFFAOYSA-N

Compound name

4-hydroxy-N-(2-hydroxyethyl)-N-methylbutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 161.1052 Da
Monoisotopic Mass: -1.4
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]+	162.11248	136.7
[M+Na]+	184.09442	142.0
[M-H]-	160.09792	135.4
[M+NH4]+	179.13902	156.4
[M+K]+	200.06836	142.3
[M+H-H2O]+	144.10246	131.5
[M+HCOO]-	206.10340	158.6
[M+CH3COO]-	220.11905	178.5
[M+Na-2H]-	182.07987	140.3
[M]+	161.10465	137.8
[M]-	161.10575	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe