CID 10987139

111351-08-7

Structural Information

Molecular Formula
C12H18O2
SMILES
C/C/1=C\CC(=O)OC/C=C(/CCC1)\C
InChI
InChI=1S/C12H18O2/c1-10-4-3-5-11(2)8-9-14-12(13)7-6-10/h6,8H,3-5,7,9H2,1-2H3/b10-6+,11-8+
InChIKey
RVKDTQISXMBQEU-NSJFVGFPSA-N
Compound name
(4E,9E)-5,9-dimethyl-1-oxacycloundeca-4,9-dien-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

194.13068 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.13796 140.0
[M+Na]+ 217.11990 146.6
[M-H]- 193.12340 141.9
[M+NH4]+ 212.16450 155.9
[M+K]+ 233.09384 146.9
[M+H-H2O]+ 177.12794 137.7
[M+HCOO]- 239.12888 159.8
[M+CH3COO]- 253.14453 179.3
[M+Na-2H]- 215.10535 144.2
[M]+ 194.13013 136.1
[M]- 194.13123 136.1
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