CID 6441344

Dimethylionone

Structural Information

Molecular Formula
C15H24O
SMILES
CCC(=O)/C(=C/C1C(=CCCC1(C)C)C)/C
InChI
InChI=1S/C15H24O/c1-6-14(16)12(3)10-13-11(2)8-7-9-15(13,4)5/h8,10,13H,6-7,9H2,1-5H3/b12-10+
InChIKey
UNAJREJGSQDJGU-ZRDIBKRKSA-N
Compound name
(E)-2-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

157
Patents

220.18271 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 155.2
[M+Na]+ 243.17193 166.1
[M+NH4]+ 238.21653 164.6
[M+K]+ 259.14587 157.7
[M-H]- 219.17543 156.8
[M+Na-2H]- 241.15738 160.5
[M]+ 220.18216 157.3
[M]- 220.18326 157.3
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