CID 333140

201989-32-4

Structural Information

Molecular Formula

C₁₀H₁₇NO₂

SMILES

CC1(CC(=CC(=O)C1)NCCO)C

InChI

InChI=1S/C10H17NO2/c1-10(2)6-8(11-3-4-12)5-9(13)7-10/h5,11-12H,3-4,6-7H2,1-2H3

InChIKey

TYPCBYZRJIFWEI-UHFFFAOYSA-N

Compound name

3-(2-hydroxyethylamino)-5,5-dimethylcyclohex-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 27
Patents: 183.12593 Da
Monoisotopic Mass: 0.7
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]+	184.133206	139.8
[M+Na]+	206.115148	146.5
[M-H]-	182.118654	142.1
[M+NH4]+	201.159753	161.1
[M+K]+	222.089088	144.5
[M+H-H2O]+	166.123190	135.2
[M+HCOO]-	228.124131	161.3
[M+CH3COO]-	242.139781	182.3
[M+Na-2H]-	204.100596	145.2
[M]+	183.12538142	137.9
[M]-	183.12647858	137.9

Literature stripe

literature stripe

Patent stripe

patents stripe