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-methylpyridin-3-yl)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]+ 163.06734 132.2
[M+Na]+ 185.04928 142.4
[M-H]- 161.05278 132.2
[M+NH4]+ 180.09388 148.6
[M+K]+ 201.02322 140.0
[M+H-H2O]+ 145.05732 120.0
[M+HCOO]- 207.05826 149.0
[M+CH3COO]- 221.07391 186.6
[M+Na-2H]- 183.03473 137.1
[M]+ 162.05951 126.3
[M]- 162.06061 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.