CID 12727575

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

Structural Information

Molecular Formula
C8H17BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)OCC
InChI
InChI=1S/C8H17BO3/c1-6-10-9-11-7(2,3)8(4,5)12-9/h6H2,1-5H3
InChIKey
AWCHCIVACATJJS-UHFFFAOYSA-N
Compound name
2-ethoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

172.12708 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.13436 130.5
[M+Na]+ 195.11630 139.6
[M-H]- 171.11980 136.0
[M+NH4]+ 190.16090 154.7
[M+K]+ 211.09024 142.1
[M+H-H2O]+ 155.12434 128.2
[M+HCOO]- 217.12528 151.8
[M+CH3COO]- 231.14093 179.3
[M+Na-2H]- 193.10175 138.6
[M]+ 172.12653 135.4
[M]- 172.12763 135.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe