CID 2734372

5-methyl-2-furanboronic acid

Structural Information

Molecular Formula
C5H7BO3
SMILES
B(C1=CC=C(O1)C)(O)O
InChI
InChI=1S/C5H7BO3/c1-4-2-3-5(9-4)6(7)8/h2-3,7-8H,1H3
InChIKey
LMJIDBVSSSPRII-UHFFFAOYSA-N
Compound name
(5-methylfuran-2-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

592
Patents

126.04882 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.05610 121.0
[M+Na]+ 149.03804 129.4
[M-H]- 125.04154 123.2
[M+NH4]+ 144.08264 142.5
[M+K]+ 165.01198 129.6
[M+H-H2O]+ 109.04608 116.8
[M+HCOO]- 171.04702 143.1
[M+CH3COO]- 185.06267 164.5
[M+Na-2H]- 147.02349 126.9
[M]+ 126.04827 121.4
[M]- 126.04937 121.4
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