CID 289737

Tri-tert-butyl borate

Structural Information

Molecular Formula
C12H27BO3
SMILES
B(OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C
InChI
InChI=1S/C12H27BO3/c1-10(2,3)14-13(15-11(4,5)6)16-12(7,8)9/h1-9H3
InChIKey
ZMCWFMOZBTXGKI-UHFFFAOYSA-N
Compound name
tritert-butyl borate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1665
Patents

230.20532 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.21260 155.3
[M+Na]+ 253.19454 161.2
[M-H]- 229.19804 155.7
[M+NH4]+ 248.23914 174.3
[M+K]+ 269.16848 162.6
[M+H-H2O]+ 213.20258 151.7
[M+HCOO]- 275.20352 172.2
[M+CH3COO]- 289.21917 193.9
[M+Na-2H]- 251.17999 160.8
[M]+ 230.20477 161.4
[M]- 230.20587 161.4
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