CID 6366364

5,5,7-trimethylocta-3,7-dien-2-one

Structural Information

Molecular Formula
C11H18O
SMILES
CC(=C)CC(C)(C)/C=C/C(=O)C
InChI
InChI=1S/C11H18O/c1-9(2)8-11(4,5)7-6-10(3)12/h6-7H,1,8H2,2-5H3/b7-6+
InChIKey
UXHQEWRXRXZPBE-VOTSOKGWSA-N
Compound name
(3E)-5,5,7-trimethylocta-3,7-dien-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.13577 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.14305 138.9
[M+Na]+ 189.12499 145.2
[M-H]- 165.12849 139.1
[M+NH4]+ 184.16959 159.9
[M+K]+ 205.09893 143.7
[M+H-H2O]+ 149.13303 135.0
[M+HCOO]- 211.13397 158.6
[M+CH3COO]- 225.14962 182.8
[M+Na-2H]- 187.11044 141.9
[M]+ 166.13522 139.8
[M]- 166.13632 139.8
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

No patent data available for this compound.