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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.10773 148.2
[M+Na]+ 245.08967 156.7
[M-H]- 221.09317 150.7
[M+NH4]+ 240.13427 166.1
[M+K]+ 261.06361 155.3
[M+H-H2O]+ 205.09771 142.2
[M+HCOO]- 267.09865 165.5
[M+CH3COO]- 281.11430 189.4
[M+Na-2H]- 243.07512 154.2
[M]+ 222.09990 147.0
[M]- 222.10100 147.0
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

No patent data available for this compound.