CID 5356479

68140-51-2

Structural Information

Molecular Formula
C14H24O2
SMILES
CC1C(OC(O1)/C=C(/C)\CCC=C(C)C)C
InChI
InChI=1S/C14H24O2/c1-10(2)7-6-8-11(3)9-14-15-12(4)13(5)16-14/h7,9,12-14H,6,8H2,1-5H3/b11-9-
InChIKey
XPCRVJQZWNHAQD-LUAWRHEFSA-N
Compound name
2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-4,5-dimethyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

224.17763 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.18491 158.2
[M+Na]+ 247.16685 163.6
[M-H]- 223.17035 162.3
[M+NH4]+ 242.21145 176.0
[M+K]+ 263.14079 163.4
[M+H-H2O]+ 207.17489 153.2
[M+HCOO]- 269.17583 175.8
[M+CH3COO]- 283.19148 192.4
[M+Na-2H]- 245.15230 157.6
[M]+ 224.17708 159.7
[M]- 224.17818 159.7
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.