CID 14366844

Trimethylolpropane triethylhexanoate

Structural Information

Molecular Formula
C30H56O6
SMILES
CCCCC(CC)C(=O)OCC(CC)(COC(=O)C(CC)CCCC)COC(=O)C(CC)CCCC
InChI
InChI=1S/C30H56O6/c1-8-15-18-24(11-4)27(31)34-21-30(14-7,22-35-28(32)25(12-5)19-16-9-2)23-36-29(33)26(13-6)20-17-10-3/h24-26H,8-23H2,1-7H3
InChIKey
QOOJEEZYYXGPAO-UHFFFAOYSA-N
Compound name
2,2-bis(2-ethylhexanoyloxymethyl)butyl 2-ethylhexanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2704
Patents

512.4077 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.414976 231.0
[M+Na]+ 535.396918 239.0
[M-H]- 511.400424 228.2
[M+NH4]+ 530.441523 242.9
[M+K]+ 551.370858 240.6
[M+H-H2O]+ 495.404960 233.4
[M+HCOO]- 557.405901 231.7
[M+CH3COO]- 571.421551 249.9
[M+Na-2H]- 533.382366 220.8
[M]+ 512.40715142 234.3
[M]- 512.40824858 234.3
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