CID 9905074

Triisopropyl citrate

Structural Information

Molecular Formula
C15H26O7
SMILES
CC(C)OC(=O)CC(CC(=O)OC(C)C)(C(=O)OC(C)C)O
InChI
InChI=1S/C15H26O7/c1-9(2)20-12(16)7-15(19,14(18)22-11(5)6)8-13(17)21-10(3)4/h9-11,19H,7-8H2,1-6H3
InChIKey
FQAZRHVERGEKOS-UHFFFAOYSA-N
Compound name
tripropan-2-yl 2-hydroxypropane-1,2,3-tricarboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7557
Patents

318.16785 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.17513 172.5
[M+Na]+ 341.15707 175.5
[M-H]- 317.16057 170.6
[M+NH4]+ 336.20167 188.7
[M+K]+ 357.13101 177.6
[M+H-H2O]+ 301.16511 167.4
[M+HCOO]- 363.16605 183.2
[M+CH3COO]- 377.18170 206.7
[M+Na-2H]- 339.14252 169.0
[M]+ 318.16730 179.0
[M]- 318.16840 179.0
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