CID 22726147

77106-39-9

Structural Information

Molecular Formula
C14H26O4
SMILES
CCC(C)(C)OC(=O)CCC(=O)OC(C)(C)CC
InChI
InChI=1S/C14H26O4/c1-7-13(3,4)17-11(15)9-10-12(16)18-14(5,6)8-2/h7-10H2,1-6H3
InChIKey
PLXGRQSQSTVVQP-UHFFFAOYSA-N
Compound name
bis(2-methylbutan-2-yl) butanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

308
Patents

258.1831 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.19038 162.6
[M+Na]+ 281.17232 169.5
[M+NH4]+ 276.21692 167.2
[M+K]+ 297.14626 166.9
[M-H]- 257.17582 158.6
[M+Na-2H]- 279.15777 162.9
[M]+ 258.18255 162.2
[M]- 258.18365 162.2
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

patents stripe