CID 20827003

379669-72-4

Structural Information

Molecular Formula
C4H9BO2
SMILES
B(CCC=C)(O)O
InChI
InChI=1S/C4H9BO2/c1-2-3-4-5(6)7/h2,6-7H,1,3-4H2
InChIKey
WHTULVNQGYJCSG-UHFFFAOYSA-N
Compound name
but-3-enylboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

100.06956 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.07684 119.0
[M+Na]+ 123.05878 125.9
[M-H]- 99.062284 116.7
[M+NH4]+ 118.10338 140.9
[M+K]+ 139.03272 125.0
[M+H-H2O]+ 83.066820 115.2
[M+HCOO]- 145.06776 139.9
[M+CH3COO]- 159.08341 162.0
[M+Na-2H]- 121.04423 124.5
[M]+ 100.06901 117.5
[M]- 100.07011 117.5
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