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

4
Patents

182.02469 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.03197 132.9
[M+Na]+ 205.01391 146.9
[M-H]- 181.01741 136.6
[M+NH4]+ 200.05851 153.5
[M+K]+ 220.98785 143.8
[M+H-H2O]+ 165.02195 127.1
[M+HCOO]- 227.02289 151.8
[M+CH3COO]- 241.03854 148.3
[M+Na-2H]- 202.99936 141.1
[M]+ 182.02414 139.5
[M]- 182.02524 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