CID 139597757

Dtxsid401183479

Structural Information

Molecular Formula
C9H21BO9
SMILES
B(OC(CO)CO)(OC(CO)CO)OC(CO)CO
InChI
InChI=1S/C9H21BO9/c11-1-7(2-12)17-10(18-8(3-13)4-14)19-9(5-15)6-16/h7-9,11-16H,1-6H2
InChIKey
WWNXZGLIVBDXMQ-UHFFFAOYSA-N
Compound name
tris(1,3-dihydroxypropan-2-yl) borate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.12787 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.135146 160.9
[M+Na]+ 307.117088 162.0
[M-H]- 283.120594 151.7
[M+NH4]+ 302.161693 171.5
[M+K]+ 323.091028 162.8
[M+H-H2O]+ 267.125130 154.8
[M+HCOO]- 329.126071 172.3
[M+CH3COO]- 343.141721 186.8
[M+Na-2H]- 305.102536 158.4
[M]+ 284.12732142 162.6
[M]- 284.12841858 162.6
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.