CID 65179585

2-(1-chloroethyl)-5-methyl-1,3-oxazole

Structural Information

Molecular Formula
C6H8ClNO
SMILES
CC1=CN=C(O1)C(C)Cl
InChI
InChI=1S/C6H8ClNO/c1-4-3-8-6(9-4)5(2)7/h3,5H,1-2H3
InChIKey
WUTGCMYSTHBMNH-UHFFFAOYSA-N
Compound name
2-(1-chloroethyl)-5-methyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 126.3
[M+Na]+ 168.01865 136.3
[M-H]- 144.02215 129.5
[M+NH4]+ 163.06325 148.0
[M+K]+ 183.99259 135.2
[M+H-H2O]+ 128.02669 121.4
[M+HCOO]- 190.02763 144.8
[M+CH3COO]- 204.04328 172.8
[M+Na-2H]- 166.00410 132.1
[M]+ 145.02888 129.8
[M]- 145.02998 129.8
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.