CID 124273621

1352747-93-3

Structural Information

Molecular Formula
C12H23BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/CC(C)C
InChI
InChI=1S/C12H23BO2/c1-10(2)8-7-9-13-14-11(3,4)12(5,6)15-13/h7,9-10H,8H2,1-6H3/b9-7+
InChIKey
LYMALJAUPVTKIB-VQHVLOKHSA-N
Compound name
4,4,5,5-tetramethyl-2-[(E)-4-methylpent-1-enyl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

210.17911 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.186386 145.2
[M+Na]+ 233.168328 152.8
[M-H]- 209.171834 150.1
[M+NH4]+ 228.212933 167.8
[M+K]+ 249.142268 153.7
[M+H-H2O]+ 193.176370 142.5
[M+HCOO]- 255.177311 164.1
[M+CH3COO]- 269.192961 188.7
[M+Na-2H]- 231.153776 149.8
[M]+ 210.17856142 148.5
[M]- 210.17965858 148.5
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