CID 14117495

(3,3-dimethyl-1-butynyl)boronic acid diisopropyl ester

Structural Information

Molecular Formula
C12H23BO2
SMILES
B(C#CC(C)(C)C)(OC(C)C)OC(C)C
InChI
InChI=1S/C12H23BO2/c1-10(2)14-13(15-11(3)4)9-8-12(5,6)7/h10-11H,1-7H3
InChIKey
FLHZJMZNIOCRSX-UHFFFAOYSA-N
Compound name
3,3-dimethylbut-1-ynyl-di(propan-2-yloxy)borane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

210.17911 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.18639 150.6
[M+Na]+ 233.16833 157.6
[M-H]- 209.17183 150.0
[M+NH4]+ 228.21293 167.8
[M+K]+ 249.14227 157.2
[M+H-H2O]+ 193.17637 140.1
[M+HCOO]- 255.17731 163.5
[M+CH3COO]- 269.19296 198.6
[M+Na-2H]- 231.15378 151.1
[M]+ 210.17856 148.6
[M]- 210.17966 148.6
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.