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

30
Patents

314.29922 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.30650 186.2
[M+Na]+ 337.28844 186.8
[M-H]- 313.29194 184.7
[M+NH4]+ 332.33304 200.8
[M+K]+ 353.26238 188.2
[M+H-H2O]+ 297.29648 180.1
[M+HCOO]- 359.29742 199.7
[M+CH3COO]- 373.31307 217.4
[M+Na-2H]- 335.27389 178.1
[M]+ 314.29867 192.4
[M]- 314.29977 192.4
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