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

16
Patents

178.03784 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.045116 131.9
[M+Na]+ 201.027058 143.6
[M-H]- 177.030564 134.4
[M+NH4]+ 196.071663 150.6
[M+K]+ 217.000998 142.3
[M+H-H2O]+ 161.035100 125.6
[M+HCOO]- 223.036041 153.7
[M+CH3COO]- 237.051691 176.7
[M+Na-2H]- 199.012506 139.9
[M]+ 178.03729142 136.0
[M]- 178.03838858 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