CID 80646399

5-chloro-3-cyclobutyl-1,2-oxazole

Structural Information

Molecular Formula
C7H8ClNO
SMILES
C1CC(C1)C2=NOC(=C2)Cl
InChI
InChI=1S/C7H8ClNO/c8-7-4-6(9-10-7)5-2-1-3-5/h4-5H,1-3H2
InChIKey
ZQEPDRDMZGSATC-UHFFFAOYSA-N
Compound name
5-chloro-3-cyclobutyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.02943 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.036706 119.5
[M+Na]+ 180.018648 127.9
[M-H]- 156.022154 125.4
[M+NH4]+ 175.063253 134.2
[M+K]+ 195.992588 129.0
[M+H-H2O]+ 140.026690 109.6
[M+HCOO]- 202.027631 137.4
[M+CH3COO]- 216.043281 176.7
[M+Na-2H]- 178.004096 126.4
[M]+ 157.02888142 129.9
[M]- 157.02997858 129.9
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.