CID 11446376

1-ethylpyrazole-4-boronic acid

Structural Information

Molecular Formula
C5H9BN2O2
SMILES
B(C1=CN(N=C1)CC)(O)O
InChI
InChI=1S/C5H9BN2O2/c1-2-8-4-5(3-7-8)6(9)10/h3-4,9-10H,2H2,1H3
InChIKey
IIBSDEGSGLVNOY-UHFFFAOYSA-N
Compound name
(1-ethylpyrazol-4-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

341
Patents

140.07571 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.08299 126.8
[M+Na]+ 163.06493 135.2
[M-H]- 139.06843 125.5
[M+NH4]+ 158.10953 146.4
[M+K]+ 179.03887 133.9
[M+H-H2O]+ 123.07297 120.6
[M+HCOO]- 185.07391 147.0
[M+CH3COO]- 199.08956 167.9
[M+Na-2H]- 161.05038 131.4
[M]+ 140.07516 126.1
[M]- 140.07626 126.1
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