CID 20284567

Schembl11400000

Structural Information

Molecular Formula
C5H6ClNO
SMILES
CC(C1=NOC=C1)Cl
InChI
InChI=1S/C5H6ClNO/c1-4(6)5-2-3-8-7-5/h2-4H,1H3
InChIKey
XVANKSIEWYUKTG-UHFFFAOYSA-N
Compound name
3-(1-chloroethyl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

131.0138 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.02108 122.0
[M+Na]+ 154.00302 131.5
[M-H]- 130.00652 125.0
[M+NH4]+ 149.04762 143.9
[M+K]+ 169.97696 130.7
[M+H-H2O]+ 114.01106 117.0
[M+HCOO]- 176.01200 140.9
[M+CH3COO]- 190.02765 168.7
[M+Na-2H]- 151.98847 129.1
[M]+ 131.01325 124.8
[M]- 131.01435 124.8
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