CID 7537479

4-(chloromethyl)-2,5-dimethyl-1,3-oxazole

Structural Information

Molecular Formula
C6H8ClNO
SMILES
CC1=C(N=C(O1)C)CCl
InChI
InChI=1S/C6H8ClNO/c1-4-6(3-7)8-5(2)9-4/h3H2,1-2H3
InChIKey
VDYVFBKYKYWTRG-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2,5-dimethyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

145.02943 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.03671 125.5
[M+Na]+ 168.01865 136.8
[M-H]- 144.02215 129.0
[M+NH4]+ 163.06325 147.6
[M+K]+ 183.99259 135.2
[M+H-H2O]+ 128.02669 120.9
[M+HCOO]- 190.02763 145.0
[M+CH3COO]- 204.04328 173.1
[M+Na-2H]- 166.00410 132.0
[M]+ 145.02888 130.0
[M]- 145.02998 130.0
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