CID 18329797

265664-53-7

Structural Information

Molecular Formula
C6H9BN2O2
SMILES
B(C1=CN=C(C=C1)NC)(O)O
InChI
InChI=1S/C6H9BN2O2/c1-8-6-3-2-5(4-9-6)7(10)11/h2-4,10-11H,1H3,(H,8,9)
InChIKey
YCFQZBVUTQXHCS-UHFFFAOYSA-N
Compound name
[6-(methylamino)pyridin-3-yl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

152.07571 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.08299 129.5
[M+Na]+ 175.06493 140.3
[M+NH4]+ 170.10953 136.7
[M+K]+ 191.03887 136.2
[M-H]- 151.06843 130.1
[M+Na-2H]- 173.05038 135.3
[M]+ 152.07516 130.9
[M]- 152.07626 130.9
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