CID 24206098

910322-74-6

Structural Information

Molecular Formula
C8H11NO3
SMILES
CCOC(=O)CC1=COC(=N1)C
InChI
InChI=1S/C8H11NO3/c1-3-11-8(10)4-7-5-12-6(2)9-7/h5H,3-4H2,1-2H3
InChIKey
VFFYPXYGSRFRIJ-UHFFFAOYSA-N
Compound name
ethyl 2-(2-methyl-1,3-oxazol-4-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

169.0739 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.081176 133.8
[M+Na]+ 192.063118 142.6
[M-H]- 168.066624 137.1
[M+NH4]+ 187.107723 153.7
[M+K]+ 208.037058 143.4
[M+H-H2O]+ 152.071160 127.9
[M+HCOO]- 214.072101 157.1
[M+CH3COO]- 228.087751 177.4
[M+Na-2H]- 190.048566 139.2
[M]+ 169.07335142 138.5
[M]- 169.07444858 138.5
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