CID 68759152

[1,5]naphthyridine-3-boronic acid

Structural Information

Molecular Formula
C8H7BN2O2
SMILES
B(C1=CC2=C(C=CC=N2)N=C1)(O)O
InChI
InChI=1S/C8H7BN2O2/c12-9(13)6-4-8-7(11-5-6)2-1-3-10-8/h1-5,12-13H
InChIKey
HQRZMWFPSGZGSQ-UHFFFAOYSA-N
Compound name
1,5-naphthyridin-3-ylboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

174.06006 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.067336 132.8
[M+Na]+ 197.049278 141.6
[M-H]- 173.052784 132.3
[M+NH4]+ 192.093883 150.1
[M+K]+ 213.023218 138.3
[M+H-H2O]+ 157.057320 126.0
[M+HCOO]- 219.058261 151.2
[M+CH3COO]- 233.073911 145.3
[M+Na-2H]- 195.034726 141.9
[M]+ 174.05951142 131.5
[M]- 174.06060858 131.5
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

patents stripe