CID 10855372

(prop-1-en-2-yl)boronic acid

Structural Information

Molecular Formula
C3H7BO2
SMILES
B(C(=C)C)(O)O
InChI
InChI=1S/C3H7BO2/c1-3(2)4(5)6/h5-6H,1H2,2H3
InChIKey
WCONKKYQBKPMNZ-UHFFFAOYSA-N
Compound name
prop-1-en-2-ylboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

765
Patents

86.05391 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 87.061186 114.5
[M+Na]+ 109.04313 121.6
[M-H]- 85.046634 112.5
[M+NH4]+ 104.08773 136.9
[M+K]+ 125.01707 121.4
[M+H-H2O]+ 69.051170 111.0
[M+HCOO]- 131.05211 134.7
[M+CH3COO]- 145.06776 159.9
[M+Na-2H]- 107.02858 119.3
[M]+ 86.053361 112.0
[M]- 86.054459 112.0
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