CID 109744

68213-19-4

Structural Information

Molecular Formula

C₁₀H₁₇NO₂

SMILES

CC1(CC(C(=O)C(=C1N)O)(C)C)C

InChI

InChI=1S/C10H17NO2/c1-9(2)5-10(3,4)8(13)6(12)7(9)11/h12H,5,11H2,1-4H3

InChIKey

WHHQOGAQSBAJTG-UHFFFAOYSA-N

Compound name

3-amino-2-hydroxy-4,4,6,6-tetramethylcyclohex-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 183.12593 Da
Monoisotopic Mass: 1.6
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]+	184.133206	136.3
[M+Na]+	206.115148	145.9
[M-H]-	182.118654	139.3
[M+NH4]+	201.159753	160.0
[M+K]+	222.089088	144.0
[M+H-H2O]+	166.123190	133.5
[M+HCOO]-	228.124131	157.1
[M+CH3COO]-	242.139781	184.0
[M+Na-2H]-	204.100596	140.9
[M]+	183.12538142	134.7
[M]-	183.12647858	134.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe