CID 173536

Pseudo-damascone

Structural Information

Molecular Formula
C14H24O
SMILES
CCCCC(=O)C1=C(CCCC1(C)C)C
InChI
InChI=1S/C14H24O/c1-5-6-9-12(15)13-11(2)8-7-10-14(13,3)4/h5-10H2,1-4H3
InChIKey
HEMHFUODSZBALC-UHFFFAOYSA-N
Compound name
1-(2,6,6-trimethylcyclohexen-1-yl)pentan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

208.18271 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.18999 151.4
[M+Na]+ 231.17193 162.7
[M+NH4]+ 226.21653 161.3
[M+K]+ 247.14587 153.8
[M-H]- 207.17543 153.5
[M+Na-2H]- 229.15738 157.4
[M]+ 208.18216 153.7
[M]- 208.18326 153.7
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