CID 3861343

(cyclopent-1-en-1-yl)boronic acid

Structural Information

Molecular Formula
C5H9BO2
SMILES
B(C1=CCCC1)(O)O
InChI
InChI=1S/C5H9BO2/c7-6(8)5-3-1-2-4-5/h3,7-8H,1-2,4H2
InChIKey
UZBHNSVUMGIKLU-UHFFFAOYSA-N
Compound name
cyclopenten-1-ylboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1702
Patents

112.06956 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.07684 121.2
[M+Na]+ 135.05878 127.6
[M-H]- 111.06228 122.0
[M+NH4]+ 130.10338 144.1
[M+K]+ 151.03272 126.6
[M+H-H2O]+ 95.066820 116.7
[M+HCOO]- 157.06776 142.5
[M+CH3COO]- 171.08341 161.7
[M+Na-2H]- 133.04423 125.6
[M]+ 112.06901 117.6
[M]- 112.07011 117.6
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