CID 5356478

Einecs 260-662-3

Structural Information

Molecular Formula
C14H24O2
SMILES
CC1CCOC(O1)/C=C(/C)\CCC=C(C)C
InChI
InChI=1S/C14H24O2/c1-11(2)6-5-7-12(3)10-14-15-9-8-13(4)16-14/h6,10,13-14H,5,7-9H2,1-4H3/b12-10-
InChIKey
TXTBETUBCFNUNQ-BENRWUELSA-N
Compound name
2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-4-methyl-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

224.17763 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.184906 157.8
[M+Na]+ 247.166848 161.4
[M-H]- 223.170354 161.4
[M+NH4]+ 242.211453 173.5
[M+K]+ 263.140788 161.5
[M+H-H2O]+ 207.174890 151.8
[M+HCOO]- 269.175831 173.4
[M+CH3COO]- 283.191481 191.6
[M+Na-2H]- 245.152296 159.2
[M]+ 224.17708142 156.9
[M]- 224.17817858 156.9
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.