CID 21988927

3-methylpyrazole-4-boronic acid

Structural Information

Molecular Formula
C4H7BN2O2
SMILES
B(C1=C(NN=C1)C)(O)O
InChI
InChI=1S/C4H7BN2O2/c1-3-4(5(8)9)2-6-7-3/h2,8-9H,1H3,(H,6,7)
InChIKey
ZYXMOCKFGABUGK-UHFFFAOYSA-N
Compound name
(5-methyl-1H-pyrazol-4-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

223
Patents

126.06006 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.06734 123.2
[M+Na]+ 149.04928 131.6
[M-H]- 125.05278 120.6
[M+NH4]+ 144.09388 142.5
[M+K]+ 165.02322 129.6
[M+H-H2O]+ 109.05732 117.3
[M+HCOO]- 171.05826 142.1
[M+CH3COO]- 185.07391 162.4
[M+Na-2H]- 147.03473 127.8
[M]+ 126.05951 120.2
[M]- 126.06061 120.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe