CID 3017611

Schembl1275719

Structural Information

Molecular Formula
C15H24O
SMILES
CCCC(=O)C=CC=C(C)CCC=C(C)C
InChI
InChI=1S/C15H24O/c1-5-8-15(16)12-7-11-14(4)10-6-9-13(2)3/h7,9,11-12H,5-6,8,10H2,1-4H3
InChIKey
WSEVLUFENBPOSN-UHFFFAOYSA-N
Compound name
8,12-dimethyltrideca-5,7,11-trien-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

220.18271 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.189986 157.7
[M+Na]+ 243.171928 162.1
[M-H]- 219.175434 157.0
[M+NH4]+ 238.216533 176.3
[M+K]+ 259.145868 159.0
[M+H-H2O]+ 203.179970 152.5
[M+HCOO]- 265.180911 176.8
[M+CH3COO]- 279.196561 193.3
[M+Na-2H]- 241.157376 156.5
[M]+ 220.18216142 159.0
[M]- 220.18325858 159.0
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