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
2
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]+ 225.18491 157.8
[M+Na]+ 247.16685 161.4
[M-H]- 223.17035 161.4
[M+NH4]+ 242.21145 173.5
[M+K]+ 263.14079 161.5
[M+H-H2O]+ 207.17489 151.8
[M+HCOO]- 269.17583 173.4
[M+CH3COO]- 283.19148 191.6
[M+Na-2H]- 245.15230 159.2
[M]+ 224.17708 156.9
[M]- 224.17818 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.