CID 21424

5337-37-1

Structural Information

Molecular Formula
C18H39BO3
SMILES
B(OC(C)CC(C)C)(OC(C)CC(C)C)OC(C)CC(C)C
InChI
InChI=1S/C18H39BO3/c1-13(2)10-16(7)20-19(21-17(8)11-14(3)4)22-18(9)12-15(5)6/h13-18H,10-12H2,1-9H3
InChIKey
ARFPYOUWHGVCEE-UHFFFAOYSA-N
Compound name
tris(4-methylpentan-2-yl) borate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

314.29922 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.30650 182.1
[M+Na]+ 337.28844 187.3
[M+NH4]+ 332.33304 186.8
[M+K]+ 353.26238 184.8
[M-H]- 313.29194 179.2
[M+Na-2H]- 335.27389 180.2
[M]+ 314.29867 181.6
[M]- 314.29977 181.6
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

patents stripe