CID 14921872

2,7-dimethyloct-6-en-3-one

Structural Information

Molecular Formula
C10H18O
SMILES
CC(C)C(=O)CCC=C(C)C
InChI
InChI=1S/C10H18O/c1-8(2)6-5-7-10(11)9(3)4/h6,9H,5,7H2,1-4H3
InChIKey
URKUNDHVYFJMNL-UHFFFAOYSA-N
Compound name
2,7-dimethyloct-6-en-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

154.13577 Da
Monoisotopic Mass

2.9
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

literature stripe

Patent stripe

patents stripe