CID 107310

4,4,6-trimethyl-2-vinyl-1,3,2-dioxaborinane

Structural Information

Molecular Formula
C8H15BO2
SMILES
B1(OC(CC(O1)(C)C)C)C=C
InChI
InChI=1S/C8H15BO2/c1-5-9-10-7(2)6-8(3,4)11-9/h5,7H,1,6H2,2-4H3
InChIKey
LFOAVJXWGLVDDI-UHFFFAOYSA-N
Compound name
2-ethenyl-4,4,6-trimethyl-1,3,2-dioxaborinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

197
Patents

154.11652 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.12380 129.9
[M+Na]+ 177.10574 137.6
[M-H]- 153.10924 135.0
[M+NH4]+ 172.15034 151.0
[M+K]+ 193.07968 139.2
[M+H-H2O]+ 137.11378 125.9
[M+HCOO]- 199.11472 149.1
[M+CH3COO]- 213.13037 176.9
[M+Na-2H]- 175.09119 137.5
[M]+ 154.11597 130.1
[M]- 154.11707 130.1
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