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]+ 279.231856 171.0
[M+Na]+ 301.213798 174.4
[M-H]- 277.217304 173.2
[M+NH4]+ 296.258403 189.1
[M+K]+ 317.187738 172.4
[M+H-H2O]+ 261.221840 165.5
[M+HCOO]- 323.222781 187.6
[M+CH3COO]- 337.238431 203.4
[M+Na-2H]- 299.199246 169.4
[M]+ 278.22403142 171.5
[M]- 278.22512858 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.