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]+ 195.03197 137.1
[M+Na]+ 217.01391 147.5
[M-H]- 193.01741 141.9
[M+NH4]+ 212.05851 155.0
[M+K]+ 232.98785 144.5
[M+H-H2O]+ 177.02195 129.5
[M+HCOO]- 239.02289 155.7
[M+CH3COO]- 253.03854 151.1
[M+Na-2H]- 214.99936 144.5
[M]+ 194.02414 140.4
[M]- 194.02524 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.