CID 175121

Einecs 276-789-2

Structural Information

Molecular Formula
C18H30O2
SMILES
CC(C)COC(=O)C1(CCC=C(C1)CCC=C(C)C)C
InChI
InChI=1S/C18H30O2/c1-14(2)8-6-9-16-10-7-11-18(5,12-16)17(19)20-13-15(3)4/h8,10,15H,6-7,9,11-13H2,1-5H3
InChIKey
MWSFCHQEVONRLO-UHFFFAOYSA-N
Compound name
2-methylpropyl 1-methyl-3-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

278.22458 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.23186 171.0
[M+Na]+ 301.21380 174.4
[M-H]- 277.21730 173.2
[M+NH4]+ 296.25840 189.1
[M+K]+ 317.18774 172.4
[M+H-H2O]+ 261.22184 165.5
[M+HCOO]- 323.22278 187.6
[M+CH3COO]- 337.23843 203.4
[M+Na-2H]- 299.19925 169.4
[M]+ 278.22403 171.5
[M]- 278.22513 171.5
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.