CID 3024001

3,5,8-trimethylnon-7-ene-2,4-dione

Structural Information

Molecular Formula
C12H20O2
SMILES
CC(CC=C(C)C)C(=O)C(C)C(=O)C
InChI
InChI=1S/C12H20O2/c1-8(2)6-7-9(3)12(14)10(4)11(5)13/h6,9-10H,7H2,1-5H3
InChIKey
UQFBGHSPOHCDIM-UHFFFAOYSA-N
Compound name
3,5,8-trimethylnon-7-ene-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.14633 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.153606 147.5
[M+Na]+ 219.135548 152.3
[M-H]- 195.139054 147.4
[M+NH4]+ 214.180153 166.8
[M+K]+ 235.109488 152.0
[M+H-H2O]+ 179.143590 142.8
[M+HCOO]- 241.144531 165.6
[M+CH3COO]- 255.160181 190.2
[M+Na-2H]- 217.120996 145.5
[M]+ 196.14578142 148.7
[M]- 196.14687858 148.7
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.