CID 94813

Tributyl prop-1-ene-1,2,3-tricarboxylate

Structural Information

Molecular Formula
C18H30O6
SMILES
CCCCOC(=O)CC(=CC(=O)OCCCC)C(=O)OCCCC
InChI
InChI=1S/C18H30O6/c1-4-7-10-22-16(19)13-15(18(21)24-12-9-6-3)14-17(20)23-11-8-5-2/h13H,4-12,14H2,1-3H3
InChIKey
BANLNYYTSYHBAP-UHFFFAOYSA-N
Compound name
tributyl prop-1-ene-1,2,3-tricarboxylate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

163
Patents

342.20422 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.21150 185.8
[M+Na]+ 365.19344 188.4
[M-H]- 341.19694 184.3
[M+NH4]+ 360.23804 198.4
[M+K]+ 381.16738 187.7
[M+H-H2O]+ 325.20148 178.9
[M+HCOO]- 387.20242 200.6
[M+CH3COO]- 401.21807 212.1
[M+Na-2H]- 363.17889 182.0
[M]+ 342.20367 194.7
[M]- 342.20477 194.7
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

No patent data available for this compound.