CID 167719707

4,4,5,5-tetramethyl-2-(1-methylcyclopentyl)-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C12H23BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2(CCCC2)C
InChI
InChI=1S/C12H23BO2/c1-10(2)11(3,4)15-13(14-10)12(5)8-6-7-9-12/h6-9H2,1-5H3
InChIKey
STUQZGQSZZWTLW-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-(1-methylcyclopentyl)-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.17911 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.18639 141.6
[M+Na]+ 233.16833 149.3
[M-H]- 209.17183 149.7
[M+NH4]+ 228.21293 167.5
[M+K]+ 249.14227 150.3
[M+H-H2O]+ 193.17637 139.5
[M+HCOO]- 255.17731 160.8
[M+CH3COO]- 269.19296 185.9
[M+Na-2H]- 231.15378 146.6
[M]+ 210.17856 142.2
[M]- 210.17966 142.2
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

No patent data available for this compound.