CID 260975

6-methyl-3-cyclohexenylmethyl 2-ethyl-2-hexenoate

Structural Information

Molecular Formula
C16H26O2
SMILES
CCCC=C(CC)C(=O)OCC1CC=CCC1C
InChI
InChI=1S/C16H26O2/c1-4-6-10-14(5-2)16(17)18-12-15-11-8-7-9-13(15)3/h7-8,10,13,15H,4-6,9,11-12H2,1-3H3
InChIKey
QMVXYQBDHSJUEV-UHFFFAOYSA-N
Compound name
(6-methylcyclohex-3-en-1-yl)methyl 2-ethylhex-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.19328 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.20056 163.6
[M+Na]+ 273.18250 167.1
[M-H]- 249.18600 165.7
[M+NH4]+ 268.22710 180.8
[M+K]+ 289.15644 164.7
[M+H-H2O]+ 233.19054 157.1
[M+HCOO]- 295.19148 181.8
[M+CH3COO]- 309.20713 197.0
[M+Na-2H]- 271.16795 162.9
[M]+ 250.19273 163.6
[M]- 250.19383 163.6
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

No patent data available for this compound.