CID 165764384

2758001-84-0

Structural Information

Molecular Formula
C9H7ClN2O3
SMILES
COC(=O)C1=CC2=C(N=C1)N=C(O2)CCl
InChI
InChI=1S/C9H7ClN2O3/c1-14-9(13)5-2-6-8(11-4-5)12-7(3-10)15-6/h2,4H,3H2,1H3
InChIKey
KWMRLVOAXWGJCX-UHFFFAOYSA-N
Compound name
methyl 2-(chloromethyl)-[1,3]oxazolo[4,5-b]pyridine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.01453 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.02181 142.4
[M+Na]+ 249.00375 154.8
[M-H]- 225.00725 145.9
[M+NH4]+ 244.04835 160.8
[M+K]+ 264.97769 152.5
[M+H-H2O]+ 209.01179 136.1
[M+HCOO]- 271.01273 160.7
[M+CH3COO]- 285.02838 185.4
[M+Na-2H]- 246.98920 149.8
[M]+ 226.01398 150.5
[M]- 226.01508 150.5
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.