CID 3020883

85665-70-9

Structural Information

Molecular Formula
C17H26O4
SMILES
CCOC(=O)C(=CCC1CC=C(C1(C)C)C)C(=O)OCC
InChI
InChI=1S/C17H26O4/c1-6-20-15(18)14(16(19)21-7-2)11-10-13-9-8-12(3)17(13,4)5/h8,11,13H,6-7,9-10H2,1-5H3
InChIKey
ZTVHSXBMFVUOBU-UHFFFAOYSA-N
Compound name
diethyl 2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethylidene]propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.1831 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.190376 170.8
[M+Na]+ 317.172318 176.7
[M-H]- 293.175824 174.0
[M+NH4]+ 312.216923 190.3
[M+K]+ 333.146258 175.2
[M+H-H2O]+ 277.180360 166.2
[M+HCOO]- 339.181301 190.5
[M+CH3COO]- 353.196951 203.7
[M+Na-2H]- 315.157766 168.4
[M]+ 294.18255142 175.6
[M]- 294.18364858 175.6
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.