CID 114572

13851-06-4

Structural Information

Molecular Formula
C13H22O2
SMILES
CCC(=O)C(C)C(=O)C(C)CC=C(C)C
InChI
InChI=1S/C13H22O2/c1-6-12(14)11(5)13(15)10(4)8-7-9(2)3/h7,10-11H,6,8H2,1-5H3
InChIKey
IJGCQHHZHDMDOD-UHFFFAOYSA-N
Compound name
4,6,9-trimethyldec-8-ene-3,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

210.16199 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.16927 152.3
[M+Na]+ 233.15121 156.6
[M-H]- 209.15471 152.0
[M+NH4]+ 228.19581 171.0
[M+K]+ 249.12515 156.0
[M+H-H2O]+ 193.15925 147.3
[M+HCOO]- 255.16019 170.0
[M+CH3COO]- 269.17584 193.2
[M+Na-2H]- 231.13666 149.7
[M]+ 210.16144 153.8
[M]- 210.16254 153.8
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

patents stripe