CID 11528968

Dtxsid501222715

Structural Information

Molecular Formula
C14H22O4
SMILES
CCOC(=O)C(=C(C)C)C(=C(C)C)C(=O)OCC
InChI
InChI=1S/C14H22O4/c1-7-17-13(15)11(9(3)4)12(10(5)6)14(16)18-8-2/h7-8H2,1-6H3
InChIKey
GKAXQJCQMJJHRO-UHFFFAOYSA-N
Compound name
diethyl 2,3-di(propan-2-ylidene)butanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

254.15181 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.15909 160.9
[M+Na]+ 277.14103 165.1
[M-H]- 253.14453 160.5
[M+NH4]+ 272.18563 177.8
[M+K]+ 293.11497 165.2
[M+H-H2O]+ 237.14907 155.7
[M+HCOO]- 299.15001 178.1
[M+CH3COO]- 313.16566 198.2
[M+Na-2H]- 275.12648 156.8
[M]+ 254.15126 164.2
[M]- 254.15236 164.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe