CID 11851265

2-allyl-5,5-dimethyl-1,3,2-dioxaborinane

Structural Information

Molecular Formula
C8H15BO2
SMILES
B1(OCC(CO1)(C)C)CC=C
InChI
InChI=1S/C8H15BO2/c1-4-5-9-10-6-8(2,3)7-11-9/h4H,1,5-7H2,2-3H3
InChIKey
SBZNRMJWIVCYBF-UHFFFAOYSA-N
Compound name
5,5-dimethyl-2-prop-2-enyl-1,3,2-dioxaborinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

154.11652 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.12380 131.0
[M+Na]+ 177.10574 137.6
[M-H]- 153.10924 135.6
[M+NH4]+ 172.15034 151.6
[M+K]+ 193.07968 139.2
[M+H-H2O]+ 137.11378 126.6
[M+HCOO]- 199.11472 150.1
[M+CH3COO]- 213.13037 175.8
[M+Na-2H]- 175.09119 139.1
[M]+ 154.11597 130.7
[M]- 154.11707 130.7
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