CID 15511119

2,5-octadien-4-one, 5,6,7-trimethyl-, (2e,5e)-

Structural Information

Molecular Formula
C11H18O
SMILES
C/C=C/C(=O)/C(=C(\C)/C(C)C)/C
InChI
InChI=1S/C11H18O/c1-6-7-11(12)10(5)9(4)8(2)3/h6-8H,1-5H3/b7-6+,10-9+
InChIKey
QWRGOHMKGNCVAC-AVQMFFATSA-N
Compound name
(2E,5E)-5,6,7-trimethylocta-2,5-dien-4-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

507
Patents

166.13577 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.14305 140.2
[M+Na]+ 189.12499 145.7
[M-H]- 165.12849 140.3
[M+NH4]+ 184.16959 160.9
[M+K]+ 205.09893 144.7
[M+H-H2O]+ 149.13303 135.8
[M+HCOO]- 211.13397 159.4
[M+CH3COO]- 225.14962 183.7
[M+Na-2H]- 187.11044 139.9
[M]+ 166.13522 140.1
[M]- 166.13632 140.1
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