CID 12516399

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

Structural Information

Molecular Formula
C8H17BO3
SMILES
B1(OC(CC(O1)(C)C)C)OCC
InChI
InChI=1S/C8H17BO3/c1-5-10-9-11-7(2)6-8(3,4)12-9/h7H,5-6H2,1-4H3
InChIKey
JOHWACCNDCSHCO-UHFFFAOYSA-N
Compound name
2-ethoxy-4,4,6-trimethyl-1,3,2-dioxaborinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

172.12708 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.13436 134.6
[M+Na]+ 195.11630 141.9
[M-H]- 171.11980 139.6
[M+NH4]+ 190.16090 154.9
[M+K]+ 211.09024 144.6
[M+H-H2O]+ 155.12434 130.3
[M+HCOO]- 217.12528 153.8
[M+CH3COO]- 231.14093 179.8
[M+Na-2H]- 193.10175 142.2
[M]+ 172.12653 137.0
[M]- 172.12763 137.0
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