CID 31077

Tri-sec-butyl borate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

681
Patents

230.20532 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.21260 159.6
[M+Na]+ 253.19454 163.1
[M-H]- 229.19804 158.9
[M+NH4]+ 248.23914 177.7
[M+K]+ 269.16848 164.5
[M+H-H2O]+ 213.20258 153.9
[M+HCOO]- 275.20352 177.9
[M+CH3COO]- 289.21917 197.0
[M+Na-2H]- 251.17999 158.1
[M]+ 230.20477 165.3
[M]- 230.20587 165.3
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