CID 5980986

Einecs 268-803-0

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-PKNBQFBNSA-N
Compound name
2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-4,5-dimethyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
3
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]+ 225.184906 158.2
[M+Na]+ 247.166848 163.6
[M-H]- 223.170354 162.3
[M+NH4]+ 242.211453 176.0
[M+K]+ 263.140788 163.4
[M+H-H2O]+ 207.174890 153.2
[M+HCOO]- 269.175831 175.8
[M+CH3COO]- 283.191481 192.4
[M+Na-2H]- 245.152296 157.6
[M]+ 224.17708142 159.7
[M]- 224.17817858 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.