CID 54593132

2-(chloromethyl)-5-(propan-2-yl)-1,3-oxazole

Structural Information

Molecular Formula
C7H10ClNO
SMILES
CC(C)C1=CN=C(O1)CCl
InChI
InChI=1S/C7H10ClNO/c1-5(2)6-4-9-7(3-8)10-6/h4-5H,3H2,1-2H3
InChIKey
CEIBYBZQNLYXIL-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-5-propan-2-yl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.04509 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.05237 130.1
[M+Na]+ 182.03431 143.0
[M+NH4]+ 177.07891 138.9
[M+K]+ 198.00825 138.8
[M-H]- 158.03781 132.4
[M+Na-2H]- 180.01976 135.6
[M]+ 159.04454 132.8
[M]- 159.04564 132.8
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

No patent data available for this compound.