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 137.6
[M+Na]+ 177.12499 143.3
[M-H]- 153.12849 137.6
[M+NH4]+ 172.16959 158.8
[M+K]+ 193.09893 142.7
[M+H-H2O]+ 137.13303 133.1
[M+HCOO]- 199.13397 157.8
[M+CH3COO]- 213.14962 181.4
[M+Na-2H]- 175.11044 139.0
[M]+ 154.13522 138.5
[M]- 154.13632 138.5
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.