CID 6366260

Ethyl 3-(2,5,6,6-tetramethyl-2-cyclohexen-1-yl)acrylate

Structural Information

Molecular Formula
C15H24O2
SMILES
CCOC(=O)/C=C/C1C(=CCC(C1(C)C)C)C
InChI
InChI=1S/C15H24O2/c1-6-17-14(16)10-9-13-11(2)7-8-12(3)15(13,4)5/h7,9-10,12-13H,6,8H2,1-5H3/b10-9+
InChIKey
GJXNQRBVBFMDDP-MDZDMXLPSA-N
Compound name
ethyl (E)-3-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.17763 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.184906 154.5
[M+Na]+ 259.166848 161.6
[M-H]- 235.170354 158.1
[M+NH4]+ 254.211453 175.2
[M+K]+ 275.140788 159.4
[M+H-H2O]+ 219.174890 149.9
[M+HCOO]- 281.175831 174.2
[M+CH3COO]- 295.191481 195.0
[M+Na-2H]- 257.152296 155.9
[M]+ 236.17708142 156.0
[M]- 236.17817858 156.0
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.