CID 103953

5-methyl-3-methylene-5-hexen-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
1
Annotation Hits

0
References

3
Patents

124.08881 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.09609 128.7
[M+Na]+ 147.07803 138.5
[M+NH4]+ 142.12263 136.1
[M+K]+ 163.05197 133.8
[M-H]- 123.08153 127.5
[M+Na-2H]- 145.06348 131.4
[M]+ 124.08826 129.4
[M]- 124.08936 129.4
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