CID 11182610

720702-41-0

Structural Information

Molecular Formula
C4H7BN2O2
SMILES
B(C1=CC=NN1C)(O)O
InChI
InChI=1S/C4H7BN2O2/c1-7-4(5(8)9)2-3-6-7/h2-3,8-9H,1H3
InChIKey
MGNBKNBEZGLHNF-UHFFFAOYSA-N
Compound name
(2-methylpyrazol-3-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

836
Patents

126.06006 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.06734 122.2
[M+Na]+ 149.04928 131.1
[M-H]- 125.05278 121.1
[M+NH4]+ 144.09388 142.3
[M+K]+ 165.02322 130.0
[M+H-H2O]+ 109.05732 116.2
[M+HCOO]- 171.05826 142.7
[M+CH3COO]- 185.07391 164.9
[M+Na-2H]- 147.03473 127.4
[M]+ 126.05951 121.2
[M]- 126.06061 121.2
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