CID 2763291

4-(chloromethyl)-2-(propan-2-yl)-1,3-oxazole

Structural Information

Molecular Formula
C7H10ClNO
SMILES
CC(C)C1=NC(=CO1)CCl
InChI
InChI=1S/C7H10ClNO/c1-5(2)7-9-6(3-8)4-10-7/h4-5H,3H2,1-2H3
InChIKey
OPCOPSQQXAHCMD-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2-propan-2-yl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

114
Patents

159.04509 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.052366 131.1
[M+Na]+ 182.034308 140.7
[M-H]- 158.037814 134.2
[M+NH4]+ 177.078913 152.3
[M+K]+ 198.008248 139.3
[M+H-H2O]+ 142.042350 126.0
[M+HCOO]- 204.043291 149.3
[M+CH3COO]- 218.058941 175.8
[M+Na-2H]- 180.019756 136.4
[M]+ 159.04454142 135.0
[M]- 159.04563858 135.0
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