CID 6437343

4868-21-7

Structural Information

Molecular Formula
C11H18O2
SMILES
CC/C=C\CCC(=O)CCC(=O)C
InChI
InChI=1S/C11H18O2/c1-3-4-5-6-7-11(13)9-8-10(2)12/h4-5H,3,6-9H2,1-2H3/b5-4-
InChIKey
CMOKFBMAFUYELN-PLNGDYQASA-N
Compound name
(Z)-undec-8-ene-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

182.13068 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.137956 143.8
[M+Na]+ 205.119898 149.6
[M-H]- 181.123404 143.6
[M+NH4]+ 200.164503 163.8
[M+K]+ 221.093838 148.1
[M+H-H2O]+ 165.127940 138.8
[M+HCOO]- 227.128881 165.2
[M+CH3COO]- 241.144531 184.5
[M+Na-2H]- 203.105346 145.9
[M]+ 182.13013142 146.5
[M]- 182.13122858 146.5
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