CID 109417

1-(3,5,6-trimethyl-3-cyclohexen-1-yl)ethanone

Structural Information

Molecular Formula
C11H18O
SMILES
CC1C=C(CC(C1C)C(=O)C)C
InChI
InChI=1S/C11H18O/c1-7-5-8(2)9(3)11(6-7)10(4)12/h5,8-9,11H,6H2,1-4H3
InChIKey
KJJMTKOKFXURKM-UHFFFAOYSA-N
Compound name
1-(3,5,6-trimethylcyclohex-3-en-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

98
Patents

166.13577 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.143046 135.8
[M+Na]+ 189.124988 143.3
[M-H]- 165.128494 139.7
[M+NH4]+ 184.169593 157.3
[M+K]+ 205.098928 141.9
[M+H-H2O]+ 149.133030 131.0
[M+HCOO]- 211.133971 156.3
[M+CH3COO]- 225.149621 183.6
[M+Na-2H]- 187.110436 138.0
[M]+ 166.13522142 135.0
[M]- 166.13631858 135.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe