CID 4711787

494776-07-7

Structural Information

Molecular Formula

C₁₁H₁₄N₂O₃

SMILES

CC1(CC2=CC(=C(N=C2CO1)N)C(=O)O)C

InChI

InChI=1S/C11H14N2O3/c1-11(2)4-6-3-7(10(14)15)9(12)13-8(6)5-16-11/h3H,4-5H2,1-2H3,(H2,12,13)(H,14,15)

InChIKey

SEIKPDUGMRERNQ-UHFFFAOYSA-N

Compound name

2-amino-6,6-dimethyl-5,8-dihydropyrano[3,4-b]pyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 222.10045 Da
Monoisotopic Mass: 0.9
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]+	223.107726	148.2
[M+Na]+	245.089668	156.7
[M-H]-	221.093174	150.7
[M+NH4]+	240.134273	166.1
[M+K]+	261.063608	155.3
[M+H-H2O]+	205.097710	142.2
[M+HCOO]-	267.098651	165.5
[M+CH3COO]-	281.114301	189.4
[M+Na-2H]-	243.075116	154.2
[M]+	222.09990142	147.0
[M]-	222.10099858	147.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.