CID 61587

Triisobutyl borate

Structural Information

Molecular Formula
C12H27BO3
SMILES
B(OCC(C)C)(OCC(C)C)OCC(C)C
InChI
InChI=1S/C12H27BO3/c1-10(2)7-14-13(15-8-11(3)4)16-9-12(5)6/h10-12H,7-9H2,1-6H3
InChIKey
LHJSLDBKUGXPMI-UHFFFAOYSA-N
Compound name
tris(2-methylpropyl) borate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

904
Patents

230.20532 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.21260 157.0
[M+Na]+ 253.19454 164.5
[M+NH4]+ 248.23914 163.1
[M+K]+ 269.16848 160.8
[M-H]- 229.19804 155.0
[M+Na-2H]- 251.17999 157.6
[M]+ 230.20477 157.2
[M]- 230.20587 157.2
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

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