CID 75042

Didecyl nonanedioate

Structural Information

Molecular Formula
C29H56O4
SMILES
CCCCCCCCCCOC(=O)CCCCCCCC(=O)OCCCCCCCCCC
InChI
InChI=1S/C29H56O4/c1-3-5-7-9-11-13-18-22-26-32-28(30)24-20-16-15-17-21-25-29(31)33-27-23-19-14-12-10-8-6-4-2/h3-27H2,1-2H3
InChIKey
WMDDQWGAOSOSAB-UHFFFAOYSA-N
Compound name
didecyl nonanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

302
Patents

468.41785 Da
Monoisotopic Mass

11.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.42513 230.8
[M+Na]+ 491.40707 237.5
[M-H]- 467.41057 217.4
[M+NH4]+ 486.45167 232.8
[M+K]+ 507.38101 235.7
[M+H-H2O]+ 451.41511 223.4
[M+HCOO]- 513.41605 239.3
[M+CH3COO]- 527.43170 241.5
[M+Na-2H]- 489.39252 217.9
[M]+ 468.41730 232.0
[M]- 468.41840 232.0
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