CID 16227991

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

Structural Information

Molecular Formula
C8H6N2O3
SMILES
CC1=NOC2=C1C=C(C=N2)C(=O)O
InChI
InChI=1S/C8H6N2O3/c1-4-6-2-5(8(11)12)3-9-7(6)13-10-4/h2-3H,1H3,(H,11,12)
InChIKey
NLIRONWJOAZNMV-UHFFFAOYSA-N
Compound name
3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

178.03784 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.04512 131.9
[M+Na]+ 201.02706 143.6
[M-H]- 177.03056 134.4
[M+NH4]+ 196.07166 150.6
[M+K]+ 217.00100 142.3
[M+H-H2O]+ 161.03510 125.6
[M+HCOO]- 223.03604 153.7
[M+CH3COO]- 237.05169 176.7
[M+Na-2H]- 199.01251 139.9
[M]+ 178.03729 136.0
[M]- 178.03839 136.0
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

patents stripe