CID 11815362

5-ethoxy-4-methyloxazole

Structural Information

Molecular Formula
C6H9NO2
SMILES
CCOC1=C(N=CO1)C
InChI
InChI=1S/C6H9NO2/c1-3-8-6-5(2)7-4-9-6/h4H,3H2,1-2H3
InChIKey
FWPDSAJKWKRRJD-UHFFFAOYSA-N
Compound name
5-ethoxy-4-methyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

180
Patents

127.06333 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.07061 121.9
[M+Na]+ 150.05255 131.5
[M-H]- 126.05605 125.3
[M+NH4]+ 145.09715 143.6
[M+K]+ 166.02649 132.5
[M+H-H2O]+ 110.06059 116.3
[M+HCOO]- 172.06153 146.4
[M+CH3COO]- 186.07718 170.1
[M+Na-2H]- 148.03800 129.6
[M]+ 127.06278 125.8
[M]- 127.06388 125.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe