CID 129681098

Ns00057233

Structural Information

Molecular Formula
C15H32O11
SMILES
C(C(CO)OCC(CO)OCC(CO)OCC(CO)OC(CO)CO)O
InChI
InChI=1S/C15H32O11/c16-1-11(2-17)23-8-13(5-20)24-9-14(6-21)25-10-15(7-22)26-12(3-18)4-19/h11-22H,1-10H2
InChIKey
XVNPLOVSONLCBO-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-(1,3-dihydroxypropan-2-yloxy)-3-hydroxypropoxy]-3-hydroxypropoxy]-3-hydroxypropoxy]propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.19446 Da
Monoisotopic Mass

-4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.201736 202.4
[M+Na]+ 411.183678 200.6
[M-H]- 387.187184 198.1
[M+NH4]+ 406.228283 197.7
[M+K]+ 427.157618 195.6
[M+H-H2O]+ 371.191720 179.6
[M+HCOO]- 433.192661 195.6
[M+CH3COO]- 447.208311 205.5
[M+Na-2H]- 409.169126 187.9
[M]+ 388.19391142 196.2
[M]- 388.19500858 196.2
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

No patent data available for this compound.