CID 145709759

(6e)-6-[(dimethylamino)methylidene]-2,2-dimethylcyclohexan-1-one

Structural Information

Molecular Formula

C₁₁H₁₉NO

SMILES

CC1(CCC/C(=C\N(C)C)/C1=O)C

InChI

InChI=1S/C11H19NO/c1-11(2)7-5-6-9(10(11)13)8-12(3)4/h8H,5-7H2,1-4H3/b9-8+

InChIKey

BJXYWHLVQIBJQN-CMDGGOBGSA-N

Compound name

(6E)-6-(dimethylaminomethylidene)-2,2-dimethylcyclohexan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 181.14667 Da
Monoisotopic Mass: 2.2
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]+	182.153946	140.0
[M+Na]+	204.135888	146.2
[M-H]-	180.139394	144.8
[M+NH4]+	199.180493	162.7
[M+K]+	220.109828	145.5
[M+H-H2O]+	164.143930	135.2
[M+HCOO]-	226.144871	161.7
[M+CH3COO]-	240.160521	188.2
[M+Na-2H]-	202.121336	143.7
[M]+	181.14612142	137.9
[M]-	181.14721858	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe