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

34
Patents

145.02943 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.036706 125.5
[M+Na]+ 168.018648 136.8
[M-H]- 144.022154 129.0
[M+NH4]+ 163.063253 147.6
[M+K]+ 183.992588 135.2
[M+H-H2O]+ 128.026690 120.9
[M+HCOO]- 190.027631 145.0
[M+CH3COO]- 204.043281 173.1
[M+Na-2H]- 166.004096 132.0
[M]+ 145.02888142 130.0
[M]- 145.02997858 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