CID 5744145

Einecs 298-551-7

Structural Information

Molecular Formula
C17H26O3
SMILES
CCOC(=O)C1C(O1)(C)/C=C/C2C(=CCCC2(C)C)C
InChI
InChI=1S/C17H26O3/c1-6-19-15(18)14-17(5,20-14)11-9-13-12(2)8-7-10-16(13,3)4/h8-9,11,13-14H,6-7,10H2,1-5H3/b11-9+
InChIKey
BSKRNVMSMUYCJR-PKNBQFBNSA-N
Compound name
ethyl 3-methyl-3-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]oxirane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.1882 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.195476 164.1
[M+Na]+ 301.177418 172.7
[M-H]- 277.180924 172.3
[M+NH4]+ 296.222023 178.7
[M+K]+ 317.151358 172.3
[M+H-H2O]+ 261.185460 159.5
[M+HCOO]- 323.186401 181.8
[M+CH3COO]- 337.202051 203.7
[M+Na-2H]- 299.162866 167.2
[M]+ 278.18765142 170.3
[M]- 278.18874858 170.3
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.