CID 79153117

4-(chloromethyl)-5-cyclobutyl-1,3-oxazole

Structural Information

Molecular Formula
C8H10ClNO
SMILES
C1CC(C1)C2=C(N=CO2)CCl
InChI
InChI=1S/C8H10ClNO/c9-4-7-8(11-5-10-7)6-2-1-3-6/h5-6H,1-4H2
InChIKey
KFBGTKDDWAKEAW-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-5-cyclobutyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.04509 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.05237 125.9
[M+Na]+ 194.03431 134.7
[M+NH4]+ 189.07891 131.5
[M+K]+ 210.00825 132.2
[M-H]- 170.03781 127.2
[M+Na-2H]- 192.01976 130.7
[M]+ 171.04454 126.6
[M]- 171.04564 126.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.