CID 524368

Propanedioic acid, didecyl ester

Structural Information

Molecular Formula
C23H44O4
SMILES
CCCCCCCCCCOC(=O)CC(=O)OCCCCCCCCCC
InChI
InChI=1S/C23H44O4/c1-3-5-7-9-11-13-15-17-19-26-22(24)21-23(25)27-20-18-16-14-12-10-8-6-4-2/h3-21H2,1-2H3
InChIKey
BOOQKINTOVSZKZ-UHFFFAOYSA-N
Compound name
didecyl propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

114
Patents

384.32397 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.331246 206.3
[M+Na]+ 407.313188 206.6
[M-H]- 383.316694 203.5
[M+NH4]+ 402.357793 211.0
[M+K]+ 423.287128 203.6
[M+H-H2O]+ 367.321230 198.3
[M+HCOO]- 429.322171 219.6
[M+CH3COO]- 443.337821 224.2
[M+Na-2H]- 405.298636 201.9
[M]+ 384.32342142 217.0
[M]- 384.32451858 217.0
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