CID 132327669

4-chloro-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine

Structural Information

Molecular Formula
C8H7ClN2O
SMILES
CC1=CC(=C2C(=NOC2=N1)C)Cl
InChI
InChI=1S/C8H7ClN2O/c1-4-3-6(9)7-5(2)11-12-8(7)10-4/h3H,1-2H3
InChIKey
KYKYBCLIEJDNHC-UHFFFAOYSA-N
Compound name
4-chloro-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

182.02469 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.031966 132.9
[M+Na]+ 205.013908 146.9
[M-H]- 181.017414 136.6
[M+NH4]+ 200.058513 153.5
[M+K]+ 220.987848 143.8
[M+H-H2O]+ 165.021950 127.1
[M+HCOO]- 227.022891 151.8
[M+CH3COO]- 241.038541 148.3
[M+Na-2H]- 202.999356 141.1
[M]+ 182.02414142 139.5
[M]- 182.02523858 139.5
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

patents stripe