CID 3625608

307531-77-7

Structural Information

Molecular Formula
C21H32O11
SMILES
CCC(=O)OCC(C1C(C(C(O1)OC(=O)CC)OC(=O)CC)OC(=O)CC)OC(=O)CC
InChI
InChI=1S/C21H32O11/c1-6-13(22)27-11-12(28-14(23)7-2)18-19(29-15(24)8-3)20(30-16(25)9-4)21(32-18)31-17(26)10-5/h12,18-21H,6-11H2,1-5H3
InChIKey
FXRJPQKYPCUCSK-UHFFFAOYSA-N
Compound name
[2-propanoyloxy-2-[3,4,5-tri(propanoyloxy)oxolan-2-yl]ethyl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

460.19446 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.20174 202.2
[M+Na]+ 483.18368 226.7
[M-H]- 459.18718 220.4
[M+NH4]+ 478.22828 231.0
[M+K]+ 499.15762 207.7
[M+H-H2O]+ 443.19172 196.1
[M+HCOO]- 505.19266 227.9
[M+CH3COO]- 519.20831 232.7
[M+Na-2H]- 481.16913 194.7
[M]+ 460.19391 218.0
[M]- 460.19501 218.0
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.