CID 18329797

(6-(methylamino)pyridin-3-yl)boronic acid hydrochloride

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

85
Patents

152.07571 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.08299 129.0
[M+Na]+ 175.06493 136.2
[M-H]- 151.06843 128.9
[M+NH4]+ 170.10953 147.2
[M+K]+ 191.03887 134.4
[M+H-H2O]+ 135.07297 122.9
[M+HCOO]- 197.07391 150.5
[M+CH3COO]- 211.08956 173.0
[M+Na-2H]- 173.05038 135.8
[M]+ 152.07516 126.7
[M]- 152.07626 126.7
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