CID 93231

2-methyl-6-methylene-1,7-octadien-3-one

Structural Information

Molecular Formula
C10H14O
SMILES
CC(=C)C(=O)CCC(=C)C=C
InChI
InChI=1S/C10H14O/c1-5-9(4)6-7-10(11)8(2)3/h5H,1-2,4,6-7H2,3H3
InChIKey
YZWOKWMEQQCMRN-UHFFFAOYSA-N
Compound name
2-methyl-6-methylideneocta-1,7-dien-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

150.10446 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.11174 136.7
[M+Na]+ 173.09368 146.2
[M+NH4]+ 168.13828 143.5
[M+K]+ 189.06762 140.9
[M-H]- 149.09718 135.1
[M+Na-2H]- 171.07913 138.8
[M]+ 150.10391 137.2
[M]- 150.10501 137.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No patent data available for this compound.