CID 91701129

4-methyl-3,5-decandione

Structural Information

Molecular Formula
C11H20O2
SMILES
CCCCCC(=O)C(C)C(=O)CC
InChI
InChI=1S/C11H20O2/c1-4-6-7-8-11(13)9(3)10(12)5-2/h9H,4-8H2,1-3H3
InChIKey
WGDUBMMSRQCZOV-UHFFFAOYSA-N
Compound name
4-methyldecane-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

184.14633 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.153606 145.4
[M+Na]+ 207.135548 150.6
[M-H]- 183.139054 145.2
[M+NH4]+ 202.180153 165.3
[M+K]+ 223.109488 150.2
[M+H-H2O]+ 167.143590 140.4
[M+HCOO]- 229.144531 165.5
[M+CH3COO]- 243.160181 187.0
[M+Na-2H]- 205.120996 146.2
[M]+ 184.14578142 148.2
[M]- 184.14687858 148.2
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