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

literature stripe

Patent stripe

patents stripe