CID 5702651

Pent-1-en-1-ylboronic acid

Structural Information

Molecular Formula
C5H11BO2
SMILES
B(/C=C/CCC)(O)O
InChI
InChI=1S/C5H11BO2/c1-2-3-4-5-6(7)8/h4-5,7-8H,2-3H2,1H3/b5-4+
InChIKey
SYKWJOZHNDPWIM-SNAWJCMRSA-N
Compound name
[(E)-pent-1-enyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

208
Patents

114.08521 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.09249 123.6
[M+Na]+ 137.07443 132.8
[M+NH4]+ 132.11903 130.7
[M+K]+ 153.04837 128.3
[M-H]- 113.07793 121.7
[M+Na-2H]- 135.05988 126.1
[M]+ 114.08466 124.0
[M]- 114.08576 124.0
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