CID 12364600

64988-69-8

Structural Information

Molecular Formula
C6H8ClNO
SMILES
CCC1=NOC(=C1)CCl
InChI
InChI=1S/C6H8ClNO/c1-2-5-3-6(4-7)9-8-5/h3H,2,4H2,1H3
InChIKey
XIKYUFRCSIWOSF-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-3-ethyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

148
Patents

145.02943 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.03671 126.0
[M+Na]+ 168.01865 136.3
[M-H]- 144.02215 129.1
[M+NH4]+ 163.06325 147.8
[M+K]+ 183.99259 134.8
[M+H-H2O]+ 128.02669 121.0
[M+HCOO]- 190.02763 145.5
[M+CH3COO]- 204.04328 172.0
[M+Na-2H]- 166.00410 133.1
[M]+ 145.02888 130.1
[M]- 145.02998 130.1
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