CID 15312439

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

Structural Information

Molecular Formula
C7H15BO3
SMILES
B1(OC(CC(O1)(C)C)C)OC
InChI
InChI=1S/C7H15BO3/c1-6-5-7(2,3)11-8(9-4)10-6/h6H,5H2,1-4H3
InChIKey
KASTZDSYCGXZIB-UHFFFAOYSA-N
Compound name
2-methoxy-4,4,6-trimethyl-1,3,2-dioxaborinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

158.11142 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.11870 129.9
[M+Na]+ 181.10064 137.6
[M-H]- 157.10414 135.1
[M+NH4]+ 176.14524 150.8
[M+K]+ 197.07458 140.5
[M+H-H2O]+ 141.10868 125.8
[M+HCOO]- 203.10962 149.4
[M+CH3COO]- 217.12527 176.8
[M+Na-2H]- 179.08609 138.0
[M]+ 158.11087 131.9
[M]- 158.11197 131.9
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