CID 82125799

2-[4-(chloromethyl)-1,3-oxazol-2-yl]pyridine hydrochloride

Structural Information

Molecular Formula
C9H7ClN2O
SMILES
C1=CC=NC(=C1)C2=NC(=CO2)CCl
InChI
InChI=1S/C9H7ClN2O/c10-5-7-6-13-9(12-7)8-3-1-2-4-11-8/h1-4,6H,5H2
InChIKey
YSFCRZNXUXJWBG-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2-pyridin-2-yl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.02469 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.031966 137.1
[M+Na]+ 217.013908 147.5
[M-H]- 193.017414 141.9
[M+NH4]+ 212.058513 155.0
[M+K]+ 232.987848 144.5
[M+H-H2O]+ 177.021950 129.5
[M+HCOO]- 239.022891 155.7
[M+CH3COO]- 253.038541 151.1
[M+Na-2H]- 214.999356 144.5
[M]+ 194.02414142 140.4
[M]- 194.02523858 140.4
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.