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]+ 207.07642 141.4
[M+Na]+ 229.05836 152.2
[M-H]- 205.06186 143.6
[M+NH4]+ 224.10296 159.0
[M+K]+ 245.03230 150.5
[M+H-H2O]+ 189.06640 134.7
[M+HCOO]- 251.06734 162.6
[M+CH3COO]- 265.08299 182.7
[M+Na-2H]- 227.04381 148.3
[M]+ 206.06859 146.2
[M]- 206.06969 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.