CID 121597481

5-(chloromethyl)-2-cyclopropyl-1,3-oxazole

Structural Information

Molecular Formula
C7H8ClNO
SMILES
C1CC1C2=NC=C(O2)CCl
InChI
InChI=1S/C7H8ClNO/c8-3-6-4-9-7(10-6)5-1-2-5/h4-5H,1-3H2
InChIKey
LKSIKAIAGZOOJV-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-2-cyclopropyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.02943 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.03671 129.3
[M+Na]+ 180.01865 140.8
[M-H]- 156.02215 136.1
[M+NH4]+ 175.06325 145.4
[M+K]+ 195.99259 138.1
[M+H-H2O]+ 140.02669 123.0
[M+HCOO]- 202.02763 148.7
[M+CH3COO]- 216.04328 143.7
[M+Na-2H]- 178.00410 136.0
[M]+ 157.02888 134.6
[M]- 157.02998 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

No patent data available for this compound.