CID 10975759

2-methoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C7H15BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)OC
InChI
InChI=1S/C7H15BO3/c1-6(2)7(3,4)11-8(9-5)10-6/h1-5H3
InChIKey
JZZJAWSMSXCSIB-UHFFFAOYSA-N
Compound name
2-methoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

691
Patents

158.11142 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.11870 125.8
[M+Na]+ 181.10064 135.3
[M-H]- 157.10414 131.4
[M+NH4]+ 176.14524 150.5
[M+K]+ 197.07458 138.1
[M+H-H2O]+ 141.10868 123.6
[M+HCOO]- 203.10962 147.4
[M+CH3COO]- 217.12527 176.3
[M+Na-2H]- 179.08609 134.4
[M]+ 158.11087 130.3
[M]- 158.11197 130.3
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