CID 8763

Tripropionin

Structural Information

Molecular Formula
C12H20O6
SMILES
CCC(=O)OCC(COC(=O)CC)OC(=O)CC
InChI
InChI=1S/C12H20O6/c1-4-10(13)16-7-9(18-12(15)6-3)8-17-11(14)5-2/h9H,4-8H2,1-3H3
InChIKey
YZWRNSARCRTXDS-UHFFFAOYSA-N
Compound name
2,3-di(propanoyloxy)propyl propanoate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

20
References

4523
Patents

260.12598 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.13326 159.4
[M+Na]+ 283.11520 164.2
[M-H]- 259.11870 159.0
[M+NH4]+ 278.15980 176.0
[M+K]+ 299.08914 165.6
[M+H-H2O]+ 243.12324 153.6
[M+HCOO]- 305.12418 179.5
[M+CH3COO]- 319.13983 196.0
[M+Na-2H]- 281.10065 158.8
[M]+ 260.12543 166.9
[M]- 260.12653 166.9
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