CID 216438

94386-40-0

Structural Information

Molecular Formula
C15H24O2
SMILES
CC(C)CC(=O)OCC1=CCC(CC1)C(=C)C
InChI
InChI=1S/C15H24O2/c1-11(2)9-15(16)17-10-13-5-7-14(8-6-13)12(3)4/h5,11,14H,3,6-10H2,1-2,4H3
InChIKey
YOKIAMRQWJSVRG-UHFFFAOYSA-N
Compound name
(4-prop-1-en-2-ylcyclohexen-1-yl)methyl 3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

236.17763 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.184906 158.4
[M+Na]+ 259.166848 162.1
[M-H]- 235.170354 160.9
[M+NH4]+ 254.211453 176.1
[M+K]+ 275.140788 160.4
[M+H-H2O]+ 219.174890 152.3
[M+HCOO]- 281.175831 176.0
[M+CH3COO]- 295.191481 195.5
[M+Na-2H]- 257.152296 157.1
[M]+ 236.17708142 157.6
[M]- 236.17817858 157.6
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

patents stripe