CID 62016

52673-60-6

Structural Information

Molecular Formula
C19H38O10
SMILES
CC(CO)OCC1C(C(C(C(O1)OC)OC(C)CO)OC(C)CO)OC(C)CO
InChI
InChI=1S/C19H38O10/c1-11(6-20)25-10-15-16(26-12(2)7-21)17(27-13(3)8-22)18(19(24-5)29-15)28-14(4)9-23/h11-23H,6-10H2,1-5H3
InChIKey
GKFRSRGHGLRUBB-UHFFFAOYSA-N
Compound name
2-[[3,4,5-tris(1-hydroxypropan-2-yloxy)-6-methoxyoxan-2-yl]methoxy]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.2465 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.25378 199.9
[M+Na]+ 449.23572 199.6
[M-H]- 425.23922 196.8
[M+NH4]+ 444.28032 205.5
[M+K]+ 465.20966 202.3
[M+H-H2O]+ 409.24376 192.7
[M+HCOO]- 471.24470 207.7
[M+CH3COO]- 485.26035 223.3
[M+Na-2H]- 447.22117 193.0
[M]+ 426.24595 206.1
[M]- 426.24705 206.1
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.