CID 6450438

72845-83-1

Structural Information

Molecular Formula
C11H18O2
SMILES
C/C=C/C=C/C1OCC(CO1)(C)C
InChI
InChI=1S/C11H18O2/c1-4-5-6-7-10-12-8-11(2,3)9-13-10/h4-7,10H,8-9H2,1-3H3/b5-4+,7-6+
InChIKey
AKVZAXRCLMGZRL-YTXTXJHMSA-N
Compound name
5,5-dimethyl-2-[(1E,3E)-penta-1,3-dienyl]-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.13068 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.137956 141.0
[M+Na]+ 205.119898 147.2
[M-H]- 181.123404 145.4
[M+NH4]+ 200.164503 160.6
[M+K]+ 221.093838 147.6
[M+H-H2O]+ 165.127940 136.3
[M+HCOO]- 227.128881 159.6
[M+CH3COO]- 241.144531 180.3
[M+Na-2H]- 203.105346 147.8
[M]+ 182.13013142 140.7
[M]- 182.13122858 140.7
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.