CID 20163290

106265-48-9

Structural Information

Molecular Formula
C11H18O
SMILES
CC1CC(=CCC1(C)C(=O)C)C
InChI
InChI=1S/C11H18O/c1-8-5-6-11(4,10(3)12)9(2)7-8/h5,9H,6-7H2,1-4H3
InChIKey
ZBANLZMLIWSQKX-UHFFFAOYSA-N
Compound name
1-(1,4,6-trimethylcyclohex-3-en-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

166.13577 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.14305 135.5
[M+Na]+ 189.12499 142.9
[M-H]- 165.12849 139.3
[M+NH4]+ 184.16959 158.6
[M+K]+ 205.09893 141.7
[M+H-H2O]+ 149.13303 131.3
[M+HCOO]- 211.13397 156.0
[M+CH3COO]- 225.14962 181.9
[M+Na-2H]- 187.11044 139.5
[M]+ 166.13522 134.5
[M]- 166.13632 134.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe