CID 6157276

7547-97-9

Structural Information

Molecular Formula
C3H7BO2
SMILES
B(/C=C/C)(O)O
InChI
InChI=1S/C3H7BO2/c1-2-3-4(5)6/h2-3,5-6H,1H3/b3-2+
InChIKey
CBMCZKMIOZYAHS-NSCUHMNNSA-N
Compound name
[(E)-prop-1-enyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3449
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 122.0
[M-H]- 85.046634 112.5
[M+NH4]+ 104.08773 137.1
[M+K]+ 125.01707 121.3
[M+H-H2O]+ 69.051170 111.0
[M+HCOO]- 131.05211 135.8
[M+CH3COO]- 145.06776 158.3
[M+Na-2H]- 107.02858 120.6
[M]+ 86.053361 112.6
[M]- 86.054459 112.6
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