CID 216439

(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) 3-methylbutanoate

Structural Information

Molecular Formula
C15H24O2
SMILES
CC1=CCC(CC1OC(=O)CC(C)C)C(=C)C
InChI
InChI=1S/C15H24O2/c1-10(2)8-15(16)17-14-9-13(11(3)4)7-6-12(14)5/h6,10,13-14H,3,7-9H2,1-2,4-5H3
InChIKey
GGESQBHSIRCDBW-UHFFFAOYSA-N
Compound name
(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) 3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
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 157.0
[M+Na]+ 259.166848 161.7
[M-H]- 235.170354 159.9
[M+NH4]+ 254.211453 175.0
[M+K]+ 275.140788 160.1
[M+H-H2O]+ 219.174890 151.3
[M+HCOO]- 281.175831 174.6
[M+CH3COO]- 295.191481 196.7
[M+Na-2H]- 257.152296 155.2
[M]+ 236.17708142 156.6
[M]- 236.17817858 156.6
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