CID 205485

5-(chloromethyl)-4-methyl-1,3-oxazole

Structural Information

Molecular Formula
C5H6ClNO
SMILES
CC1=C(OC=N1)CCl
InChI
InChI=1S/C5H6ClNO/c1-4-5(2-6)8-3-7-4/h3H,2H2,1H3
InChIKey
DUTCFYSYEZIRIM-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-4-methyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
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 121.2
[M+Na]+ 154.00302 131.9
[M-H]- 130.00652 124.4
[M+NH4]+ 149.04762 143.5
[M+K]+ 169.97696 130.7
[M+H-H2O]+ 114.01106 116.4
[M+HCOO]- 176.01200 141.0
[M+CH3COO]- 190.02765 169.0
[M+Na-2H]- 151.98847 128.9
[M]+ 131.01325 124.9
[M]- 131.01435 124.9
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

patents stripe