CID 119031678

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

Structural Information

Molecular Formula
C8H12ClNO
SMILES
CCCC1=NC(=C(O1)CCl)C
InChI
InChI=1S/C8H12ClNO/c1-3-4-8-10-6(2)7(5-9)11-8/h3-5H2,1-2H3
InChIKey
IECCZCMVYLINDR-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-4-methyl-2-propyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.06075 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.06803 135.2
[M+Na]+ 196.04997 145.5
[M-H]- 172.05347 138.3
[M+NH4]+ 191.09457 156.1
[M+K]+ 212.02391 143.4
[M+H-H2O]+ 156.05801 130.1
[M+HCOO]- 218.05895 154.0
[M+CH3COO]- 232.07460 179.1
[M+Na-2H]- 194.03542 140.4
[M]+ 173.06020 140.4
[M]- 173.06130 140.4
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.