CID 11263501

847818-55-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2557
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

literature stripe

Patent stripe

patents stripe