CID 368290

Boric acid, pinacol ester

Structural Information

Molecular Formula
C6H13BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)O
InChI
InChI=1S/C6H13BO3/c1-5(2)6(3,4)10-7(8)9-5/h8H,1-4H3
InChIKey
ZZPNDIHOQDQVNU-UHFFFAOYSA-N
Compound name
2-hydroxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1170
Patents

144.09578 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.10306 122.6
[M+Na]+ 167.08500 132.1
[M-H]- 143.08850 127.0
[M+NH4]+ 162.12960 147.2
[M+K]+ 183.05894 134.2
[M+H-H2O]+ 127.09304 120.8
[M+HCOO]- 189.09398 143.0
[M+CH3COO]- 203.10963 170.7
[M+Na-2H]- 165.07045 131.2
[M]+ 144.09523 124.9
[M]- 144.09633 124.9
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