CID 25247590

1011396-41-0

Structural Information

Molecular Formula
C11H9ClN2O3
SMILES
CC1=NOC2=NC(=C(C(=C12)C(=O)O)Cl)C3CC3
InChI
InChI=1S/C11H9ClN2O3/c1-4-6-7(11(15)16)8(12)9(5-2-3-5)13-10(6)17-14-4/h5H,2-3H2,1H3,(H,15,16)
InChIKey
HWZKCPMMPXGFLI-UHFFFAOYSA-N
Compound name
5-chloro-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

252.03017 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.03745 153.7
[M+Na]+ 275.01939 167.9
[M-H]- 251.02289 159.8
[M+NH4]+ 270.06399 165.7
[M+K]+ 290.99333 162.5
[M+H-H2O]+ 235.02743 147.3
[M+HCOO]- 297.02837 169.8
[M+CH3COO]- 311.04402 166.8
[M+Na-2H]- 273.00484 157.8
[M]+ 252.02962 162.2
[M]- 252.03072 162.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe