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

524
Patents

166.13577 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.143046 140.2
[M+Na]+ 189.124988 145.7
[M-H]- 165.128494 140.3
[M+NH4]+ 184.169593 160.9
[M+K]+ 205.098928 144.7
[M+H-H2O]+ 149.133030 135.8
[M+HCOO]- 211.133971 159.4
[M+CH3COO]- 225.149621 183.7
[M+Na-2H]- 187.110436 139.9
[M]+ 166.13522142 140.1
[M]- 166.13631858 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