CID 16784420

3-propyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid

Structural Information

Molecular Formula
C10H10N2O3
SMILES
CCCC1=NOC2=C1C=C(C=N2)C(=O)O
InChI
InChI=1S/C10H10N2O3/c1-2-3-8-7-4-6(10(13)14)5-11-9(7)15-12-8/h4-5H,2-3H2,1H3,(H,13,14)
InChIKey
TYSBQHKXOZUWCZ-UHFFFAOYSA-N
Compound name
3-propyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.06914 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.076416 141.4
[M+Na]+ 229.058358 152.2
[M-H]- 205.061864 143.6
[M+NH4]+ 224.102963 159.0
[M+K]+ 245.032298 150.5
[M+H-H2O]+ 189.066400 134.7
[M+HCOO]- 251.067341 162.6
[M+CH3COO]- 265.082991 182.7
[M+Na-2H]- 227.043806 148.3
[M]+ 206.06859142 146.2
[M]- 206.06968858 146.2
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.