CID 9816596

Diethyl 2,3-di(propan-2-yl)butanedioate

Structural Information

Molecular Formula
C14H26O4
SMILES
CCOC(=O)C(C(C)C)C(C(C)C)C(=O)OCC
InChI
InChI=1S/C14H26O4/c1-7-17-13(15)11(9(3)4)12(10(5)6)14(16)18-8-2/h9-12H,7-8H2,1-6H3
InChIKey
WGFNXLQURMLAGC-UHFFFAOYSA-N
Compound name
diethyl 2,3-di(propan-2-yl)butanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1641
Patents

258.1831 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.190376 164.5
[M+Na]+ 281.172318 167.9
[M-H]- 257.175824 163.9
[M+NH4]+ 276.216923 181.2
[M+K]+ 297.146258 169.3
[M+H-H2O]+ 241.180360 159.0
[M+HCOO]- 303.181301 181.2
[M+CH3COO]- 317.196951 201.3
[M+Na-2H]- 279.157766 160.2
[M]+ 258.18255142 169.3
[M]- 258.18364858 169.3
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