CID 70393144

2219369-14-7

Structural Information

Molecular Formula

C₉H₁₀N₂O₃

SMILES

C1CNCC2=C1NC=C(C2=O)C(=O)O

InChI

InChI=1S/C9H10N2O3/c12-8-5-3-10-2-1-7(5)11-4-6(8)9(13)14/h4,10H,1-3H2,(H,11,12)(H,13,14)

InChIKey

FYGQRPCDSAUQHB-UHFFFAOYSA-N

Compound name

4-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 194.06914 Da
Monoisotopic Mass: -2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	195.076416	139.6
[M+Na]+	217.058358	147.1
[M-H]-	193.061864	137.3
[M+NH4]+	212.102963	155.2
[M+K]+	233.032298	142.8
[M+H-H2O]+	177.066400	133.1
[M+HCOO]-	239.067341	154.0
[M+CH3COO]-	253.082991	175.3
[M+Na-2H]-	215.043806	145.1
[M]+	194.06859142	134.0
[M]-	194.06968858	134.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe