CID 80646399

5-chloro-3-cyclobutylisoxazole

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]+ 158.03671 119.5
[M+Na]+ 180.01865 127.9
[M-H]- 156.02215 125.4
[M+NH4]+ 175.06325 134.2
[M+K]+ 195.99259 129.0
[M+H-H2O]+ 140.02669 109.6
[M+HCOO]- 202.02763 137.4
[M+CH3COO]- 216.04328 176.7
[M+Na-2H]- 178.00410 126.4
[M]+ 157.02888 129.9
[M]- 157.02998 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.