CID 141609

31039-88-0

Structural Information

Molecular Formula

C₁₀H₁₇NO

SMILES

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

InChI

InChI=1S/C10H17NO/c1-10(2)6-8(11(3)4)5-9(12)7-10/h5H,6-7H2,1-4H3

InChIKey

XHNTVKASLQLNFM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 40
Patents: 167.13101 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]+	168.138286	134.8
[M+Na]+	190.120228	142.2
[M-H]-	166.123734	140.2
[M+NH4]+	185.164833	158.3
[M+K]+	206.094168	142.1
[M+H-H2O]+	150.128270	130.1
[M+HCOO]-	212.129211	158.2
[M+CH3COO]-	226.144861	186.4
[M+Na-2H]-	188.105676	140.1
[M]+	167.13046142	134.6
[M]-	167.13155858	134.6

Literature stripe

literature stripe

Patent stripe

patents stripe