CID 10932675

141091-37-4

Structural Information

Molecular Formula
C12H21BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CCCCC2
InChI
InChI=1S/C12H21BO2/c1-11(2)12(3,4)15-13(14-11)10-8-6-5-7-9-10/h8H,5-7,9H2,1-4H3
InChIKey
QNZFUMVTUFOLRT-UHFFFAOYSA-N
Compound name
2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1606
Patents

208.16347 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.17075 143.9
[M+Na]+ 231.15269 150.9
[M-H]- 207.15619 151.8
[M+NH4]+ 226.19729 166.2
[M+K]+ 247.12663 151.8
[M+H-H2O]+ 191.16073 139.8
[M+HCOO]- 253.16167 162.4
[M+CH3COO]- 267.17732 185.5
[M+Na-2H]- 229.13814 149.4
[M]+ 208.16292 143.3
[M]- 208.16402 143.3
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