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]+ 146.036706 126.3
[M+Na]+ 168.018648 136.3
[M-H]- 144.022154 129.5
[M+NH4]+ 163.063253 148.0
[M+K]+ 183.992588 135.2
[M+H-H2O]+ 128.026690 121.4
[M+HCOO]- 190.027631 144.8
[M+CH3COO]- 204.043281 172.8
[M+Na-2H]- 166.004096 132.1
[M]+ 145.02888142 129.8
[M]- 145.02997858 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.