CID 42614649

4,4,5,5-tetramethyl-2-(oxan-4-yl)-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C11H21BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2CCOCC2
InChI
InChI=1S/C11H21BO3/c1-10(2)11(3,4)15-12(14-10)9-5-7-13-8-6-9/h9H,5-8H2,1-4H3
InChIKey
NLSMOSUUBUCSPL-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-(oxan-4-yl)-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

212.15837 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.165646 144.4
[M+Na]+ 235.147588 150.7
[M-H]- 211.151094 152.6
[M+NH4]+ 230.192193 165.0
[M+K]+ 251.121528 153.4
[M+H-H2O]+ 195.155630 140.7
[M+HCOO]- 257.156571 160.9
[M+CH3COO]- 271.172221 185.4
[M+Na-2H]- 233.133036 150.4
[M]+ 212.15782142 144.1
[M]- 212.15891858 144.1
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