CID 21988885

3,5-dimethyl-1h-pyrazole-4-boronic acid hydrochloride

Structural Information

Molecular Formula
C5H9BN2O2
SMILES
B(C1=C(NN=C1C)C)(O)O
InChI
InChI=1S/C5H9BN2O2/c1-3-5(6(9)10)4(2)8-7-3/h9-10H,1-2H3,(H,7,8)
InChIKey
YABZNRCHCVTPDV-UHFFFAOYSA-N
Compound name
(3,5-dimethyl-1H-pyrazol-4-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

198
Patents

140.07571 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.08299 127.5
[M+Na]+ 163.06493 136.4
[M-H]- 139.06843 125.2
[M+NH4]+ 158.10953 146.6
[M+K]+ 179.03887 134.2
[M+H-H2O]+ 123.07297 121.8
[M+HCOO]- 185.07391 146.1
[M+CH3COO]- 199.08956 166.6
[M+Na-2H]- 161.05038 130.8
[M]+ 140.07516 125.3
[M]- 140.07626 125.3
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

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