CID 133661949

2225178-21-0

Structural Information

Molecular Formula
C7H7BN2O2
SMILES
B(C1=CN=C(C=C1C)C#N)(O)O
InChI
InChI=1S/C7H7BN2O2/c1-5-2-6(3-9)10-4-7(5)8(11)12/h2,4,11-12H,1H3
InChIKey
MFMJHLACFJJKQB-UHFFFAOYSA-N
Compound name
(6-cyano-4-methyl-3-pyridinyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.06006 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.067336 132.2
[M+Na]+ 185.049278 142.4
[M-H]- 161.052784 132.2
[M+NH4]+ 180.093883 148.6
[M+K]+ 201.023218 140.0
[M+H-H2O]+ 145.057320 120.0
[M+HCOO]- 207.058261 149.0
[M+CH3COO]- 221.073911 186.6
[M+Na-2H]- 183.034726 137.1
[M]+ 162.05951142 126.3
[M]- 162.06060858 126.3
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.