CID 11769738

157945-83-0

Structural Information

Molecular Formula
C12H23BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/C(C)(C)C
InChI
InChI=1S/C12H23BO2/c1-10(2,3)8-9-13-14-11(4,5)12(6,7)15-13/h8-9H,1-7H3/b9-8+
InChIKey
VTGDQOPDGQPGRO-CMDGGOBGSA-N
Compound name
2-[(E)-3,3-dimethylbut-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

210.17911 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.18639 143.1
[M+Na]+ 233.16833 151.5
[M-H]- 209.17183 148.3
[M+NH4]+ 228.21293 166.1
[M+K]+ 249.14227 152.5
[M+H-H2O]+ 193.17637 141.3
[M+HCOO]- 255.17731 161.6
[M+CH3COO]- 269.19296 187.6
[M+Na-2H]- 231.15378 150.1
[M]+ 210.17856 146.7
[M]- 210.17966 146.7
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