CID 76678559

2,7-dimethyl-5-octen-3-one

Structural Information

Molecular Formula
C10H18O
SMILES
CC(C)C=CCC(=O)C(C)C
InChI
InChI=1S/C10H18O/c1-8(2)6-5-7-10(11)9(3)4/h5-6,8-9H,7H2,1-4H3
InChIKey
ODAIJWPJLNSZSG-UHFFFAOYSA-N
Compound name
2,7-dimethyloct-5-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.13577 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.14305 138.3
[M+Na]+ 177.12499 147.8
[M+NH4]+ 172.16959 145.7
[M+K]+ 193.09893 142.6
[M-H]- 153.12849 137.3
[M+Na-2H]- 175.11044 140.7
[M]+ 154.13522 139.1
[M]- 154.13632 139.1
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

No patent data available for this compound.