CID 103953

5-methyl-3-methylidenehex-5-en-2-one

Structural Information

Molecular Formula
C8H12O
SMILES
CC(=C)CC(=C)C(=O)C
InChI
InChI=1S/C8H12O/c1-6(2)5-7(3)8(4)9/h1,3,5H2,2,4H3
InChIKey
WEAGIKYKIOBREP-UHFFFAOYSA-N
Compound name
5-methyl-3-methylidenehex-5-en-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

124.08881 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.096086 126.1
[M+Na]+ 147.078028 132.8
[M-H]- 123.081534 126.5
[M+NH4]+ 142.122633 148.3
[M+K]+ 163.051968 132.1
[M+H-H2O]+ 107.086070 122.0
[M+HCOO]- 169.087011 147.2
[M+CH3COO]- 183.102661 175.0
[M+Na-2H]- 145.063476 128.7
[M]+ 124.08826142 125.6
[M]- 124.08935858 125.6
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