CID 117287

25915-53-1

Structural Information

Molecular Formula

C₁₁H₁₈O

SMILES

CC1C=CCC(C1C(=O)C)(C)C

InChI

InChI=1S/C11H18O/c1-8-6-5-7-11(3,4)10(8)9(2)12/h5-6,8,10H,7H2,1-4H3

InChIKey

WLTIDHLMFJRJHE-UHFFFAOYSA-N

Compound name

1-(2,6,6-trimethylcyclohex-3-en-1-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 75
Patents: 166.13577 Da
Monoisotopic Mass: 2.6
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]+	167.143046	135.5
[M+Na]+	189.124988	142.9
[M-H]-	165.128494	139.3
[M+NH4]+	184.169593	158.6
[M+K]+	205.098928	141.7
[M+H-H2O]+	149.133030	131.3
[M+HCOO]-	211.133971	156.0
[M+CH3COO]-	225.149621	181.9
[M+Na-2H]-	187.110436	139.5
[M]+	166.13522142	134.5
[M]-	166.13631858	134.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe