CID 103852

4-(4-methylpenten-3-yl)cyclohex-3-ene-1-methyl acetate

Structural Information

Molecular Formula
C15H24O2
SMILES
CC(=CCCC1=CCC(CC1)COC(=O)C)C
InChI
InChI=1S/C15H24O2/c1-12(2)5-4-6-14-7-9-15(10-8-14)11-17-13(3)16/h5,7,15H,4,6,8-11H2,1-3H3
InChIKey
HTQLNWONIAXQKC-UHFFFAOYSA-N
Compound name
[4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

168
Patents

236.17763 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.184906 158.9
[M+Na]+ 259.166848 162.9
[M-H]- 235.170354 161.3
[M+NH4]+ 254.211453 176.7
[M+K]+ 275.140788 160.7
[M+H-H2O]+ 219.174890 152.7
[M+HCOO]- 281.175831 177.5
[M+CH3COO]- 295.191481 194.0
[M+Na-2H]- 257.152296 158.8
[M]+ 236.17708142 158.6
[M]- 236.17817858 158.6
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