CID 74113

Tripropyl citrate

Structural Information

Molecular Formula
C15H26O7
SMILES
CCCOC(=O)CC(CC(=O)OCCC)(C(=O)OCCC)O
InChI
InChI=1S/C15H26O7/c1-4-7-20-12(16)10-15(19,14(18)22-9-6-3)11-13(17)21-8-5-2/h19H,4-11H2,1-3H3
InChIKey
ODHUFJLMXDXVRC-UHFFFAOYSA-N
Compound name
tripropyl 2-hydroxypropane-1,2,3-tricarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3088
Patents

318.16785 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.17513 175.0
[M+Na]+ 341.15707 178.5
[M-H]- 317.16057 172.8
[M+NH4]+ 336.20167 184.9
[M+K]+ 357.13101 178.9
[M+H-H2O]+ 301.16511 169.2
[M+HCOO]- 363.16605 191.0
[M+CH3COO]- 377.18170 203.8
[M+Na-2H]- 339.14252 174.8
[M]+ 318.16730 183.3
[M]- 318.16840 183.3
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