CID 58461027

3-hydroxy-2,2-dimethyl-n-propylpropanamide

Structural Information

Molecular Formula

C₈H₁₇NO₂

SMILES

CCCNC(=O)C(C)(C)CO

InChI

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

InChIKey

PLXAWTRZKLDSEF-UHFFFAOYSA-N

Compound name

3-hydroxy-2,2-dimethyl-N-propylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 68
Patents: 159.12593 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]+	160.13321	137.1
[M+Na]+	182.11515	144.9
[M+NH4]+	177.15975	143.5
[M+K]+	198.08909	141.2
[M-H]-	158.11865	135.2
[M+Na-2H]-	180.10060	139.2
[M]+	159.12538	137.3
[M]-	159.12648	137.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe