CID 3022784

3-cyclooctylidene-2-methylpropyl acetate

Structural Information

Molecular Formula
C14H24O2
SMILES
CC(COC(=O)C)C=C1CCCCCCC1
InChI
InChI=1S/C14H24O2/c1-12(11-16-13(2)15)10-14-8-6-4-3-5-7-9-14/h10,12H,3-9,11H2,1-2H3
InChIKey
RUFVZOVYGPWUAD-UHFFFAOYSA-N
Compound name
(3-cyclooctylidene-2-methylpropyl) acetate
Related CIDs

2D Structure

compound 2d structure
1
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 155.9
[M+Na]+ 247.166848 158.9
[M-H]- 223.170354 157.1
[M+NH4]+ 242.211453 164.0
[M+K]+ 263.140788 159.2
[M+H-H2O]+ 207.174890 152.2
[M+HCOO]- 269.175831 163.6
[M+CH3COO]- 283.191481 225.1
[M+Na-2H]- 245.152296 154.1
[M]+ 224.17708142 154.2
[M]- 224.17817858 154.2
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.