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

106
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

literature stripe

Patent stripe

patents stripe