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

16
Patents

174.06006 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.06734 132.8
[M+Na]+ 197.04928 141.6
[M-H]- 173.05278 132.3
[M+NH4]+ 192.09388 150.1
[M+K]+ 213.02322 138.3
[M+H-H2O]+ 157.05732 126.0
[M+HCOO]- 219.05826 151.2
[M+CH3COO]- 233.07391 145.3
[M+Na-2H]- 195.03473 141.9
[M]+ 174.05951 131.5
[M]- 174.06061 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