CID 18802093

937691-36-6

Structural Information

Molecular Formula
C10H10N2O3
SMILES
CCC1=CC(=C2C(=NOC2=N1)C)C(=O)O
InChI
InChI=1S/C10H10N2O3/c1-3-6-4-7(10(13)14)8-5(2)12-15-9(8)11-6/h4H,3H2,1-2H3,(H,13,14)
InChIKey
SYMJIFPZZGOKLH-UHFFFAOYSA-N
Compound name
6-ethyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

206.06914 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.07642 141.4
[M+Na]+ 229.05836 153.1
[M-H]- 205.06186 144.0
[M+NH4]+ 224.10296 159.3
[M+K]+ 245.03230 151.4
[M+H-H2O]+ 189.06640 135.0
[M+HCOO]- 251.06734 162.5
[M+CH3COO]- 265.08299 184.0
[M+Na-2H]- 227.04381 147.6
[M]+ 206.06859 146.7
[M]- 206.06969 146.7
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