CID 102706

2,6-dimethyloct-7-en-4-one

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

0
References

227
Patents

154.13577 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.143046 137.4
[M+Na]+ 177.124988 143.0
[M-H]- 153.128494 137.4
[M+NH4]+ 172.169593 158.6
[M+K]+ 193.098928 142.4
[M+H-H2O]+ 137.133030 132.9
[M+HCOO]- 199.133971 157.6
[M+CH3COO]- 213.149621 182.0
[M+Na-2H]- 175.110436 138.8
[M]+ 154.13522142 138.4
[M]- 154.13631858 138.4
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