CID 14402222

30989-05-0

Structural Information

Molecular Formula
C21H45BO12
SMILES
B(OCCOCCOCCOC)(OCCOCCOCCOC)OCCOCCOCCOC
InChI
InChI=1S/C21H45BO12/c1-23-4-7-26-10-13-29-16-19-32-22(33-20-17-30-14-11-27-8-5-24-2)34-21-18-31-15-12-28-9-6-25-3/h4-21H2,1-3H3
InChIKey
BYRJZJXBVKUYFH-UHFFFAOYSA-N
Compound name
tris[2-[2-(2-methoxyethoxy)ethoxy]ethyl] borate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

59
Patents

500.3004 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.30768 234.4
[M+Na]+ 523.28962 236.4
[M-H]- 499.29312 225.8
[M+NH4]+ 518.33422 240.3
[M+K]+ 539.26356 231.3
[M+H-H2O]+ 483.29766 237.1
[M+HCOO]- 545.29860 246.3
[M+CH3COO]- 559.31425 237.5
[M+Na-2H]- 521.27507 219.6
[M]+ 500.29985 237.1
[M]- 500.30095 237.1
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