CID 137965849

(5-cyano-1-methyl-1h-pyrazol-4-yl)boronic acid

Structural Information

Molecular Formula
C5H6BN3O2
SMILES
B(C1=C(N(N=C1)C)C#N)(O)O
InChI
InChI=1S/C5H6BN3O2/c1-9-5(2-7)4(3-8-9)6(10)11/h3,10-11H,1H3
InChIKey
ZQWVHNBDYRNSJI-UHFFFAOYSA-N
Compound name
(5-cyano-1-methylpyrazol-4-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.05531 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.06259 127.2
[M+Na]+ 174.04453 137.5
[M-H]- 150.04803 125.7
[M+NH4]+ 169.08913 144.1
[M+K]+ 190.01847 136.0
[M+H-H2O]+ 134.05257 114.0
[M+HCOO]- 196.05351 143.8
[M+CH3COO]- 210.06916 183.7
[M+Na-2H]- 172.02998 130.9
[M]+ 151.05476 121.5
[M]- 151.05586 121.5
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

No patent data available for this compound.