CID 15211560

Dtxsid00570091

Structural Information

Molecular Formula
C11H21BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/CCC
InChI
InChI=1S/C11H21BO2/c1-6-7-8-9-12-13-10(2,3)11(4,5)14-12/h8-9H,6-7H2,1-5H3/b9-8+
InChIKey
IMIHEZMTQOARIK-CMDGGOBGSA-N
Compound name
4,4,5,5-tetramethyl-2-[(E)-pent-1-enyl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

157
Patents

196.16347 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.17075 140.2
[M+Na]+ 219.15269 148.4
[M-H]- 195.15619 145.2
[M+NH4]+ 214.19729 163.4
[M+K]+ 235.12663 149.2
[M+H-H2O]+ 179.16073 137.5
[M+HCOO]- 241.16167 160.5
[M+CH3COO]- 255.17732 184.8
[M+Na-2H]- 217.13814 146.5
[M]+ 196.16292 143.8
[M]- 196.16402 143.8
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