CID 61925

Boric acid, ethyl ester

Structural Information

Molecular Formula
C2H7BO3
SMILES
B(O)(O)OCC
InChI
InChI=1S/C2H7BO3/c1-2-6-3(4)5/h4-5H,2H2,1H3
InChIKey
KUGSJJNCCNSRMM-UHFFFAOYSA-N
Compound name
ethoxyboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2110
Patents

90.04882 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 91.056096 113.6
[M+Na]+ 113.03804 123.0
[M+NH4]+ 108.08264 121.0
[M+K]+ 129.01198 119.9
[M-H]- 89.041544 111.6
[M+Na-2H]- 111.02349 116.7
[M]+ 90.048271 114.0
[M]- 90.049369 114.0
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