CID 65239520

4-(chloromethyl)-5-cyclopropyl-1,2-oxazole

Structural Information

Molecular Formula
C7H8ClNO
SMILES
C1CC1C2=C(C=NO2)CCl
InChI
InChI=1S/C7H8ClNO/c8-3-6-4-9-10-7(6)5-1-2-5/h4-5H,1-3H2
InChIKey
JDCYMHYHBMNBAO-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-5-cyclopropyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

157.02943 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.036706 129.3
[M+Na]+ 180.018648 140.8
[M-H]- 156.022154 136.1
[M+NH4]+ 175.063253 145.4
[M+K]+ 195.992588 138.1
[M+H-H2O]+ 140.026690 123.0
[M+HCOO]- 202.027631 148.7
[M+CH3COO]- 216.043281 143.7
[M+Na-2H]- 178.004096 136.0
[M]+ 157.02888142 134.6
[M]- 157.02997858 134.6
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

patents stripe