CID 9391694

923690-37-3

Structural Information

Molecular Formula
C11H12N2O3
SMILES
CC1=NOC2=C1C(=CC(=N2)C(C)C)C(=O)O
InChI
InChI=1S/C11H12N2O3/c1-5(2)8-4-7(11(14)15)9-6(3)13-16-10(9)12-8/h4-5H,1-3H3,(H,14,15)
InChIKey
RILQHLKPPRZHAO-UHFFFAOYSA-N
Compound name
3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

220.0848 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.09208 146.3
[M+Na]+ 243.07402 157.2
[M-H]- 219.07752 148.8
[M+NH4]+ 238.11862 163.5
[M+K]+ 259.04796 155.8
[M+H-H2O]+ 203.08206 139.9
[M+HCOO]- 265.08300 166.0
[M+CH3COO]- 279.09865 187.9
[M+Na-2H]- 241.05947 150.7
[M]+ 220.08425 151.2
[M]- 220.08535 151.2
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

patents stripe