CID 119031680

5-(chloromethyl)-2-ethyl-4-methyl-1,3-oxazole

Structural Information

Molecular Formula
C7H10ClNO
SMILES
CCC1=NC(=C(O1)CCl)C
InChI
InChI=1S/C7H10ClNO/c1-3-7-9-5(2)6(4-8)10-7/h3-4H2,1-2H3
InChIKey
RYMGKQKBACEXPP-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-2-ethyl-4-methyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.04509 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.052366 130.4
[M+Na]+ 182.034308 141.2
[M-H]- 158.037814 133.6
[M+NH4]+ 177.078913 151.9
[M+K]+ 198.008248 139.3
[M+H-H2O]+ 142.042350 125.5
[M+HCOO]- 204.043291 149.5
[M+CH3COO]- 218.058941 176.1
[M+Na-2H]- 180.019756 136.2
[M]+ 159.04454142 135.2
[M]- 159.04563858 135.2
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.