CID 119031683

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

Structural Information

Molecular Formula
C8H12ClNO
SMILES
CC1=C(OC(=N1)C(C)C)CCl
InChI
InChI=1S/C8H12ClNO/c1-5(2)8-10-6(3)7(4-9)11-8/h5H,4H2,1-3H3
InChIKey
BXLIOMMDBGHAAN-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-4-methyl-2-propan-2-yl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

173.06075 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.06803 134.3
[M+Na]+ 196.04997 147.4
[M+NH4]+ 191.09457 143.1
[M+K]+ 212.02391 143.2
[M-H]- 172.05347 136.7
[M+Na-2H]- 194.03542 139.4
[M]+ 173.06020 137.2
[M]- 173.06130 137.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.