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

31
Patents

169.0739 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.08118 133.8
[M+Na]+ 192.06312 142.6
[M-H]- 168.06662 137.1
[M+NH4]+ 187.10772 153.7
[M+K]+ 208.03706 143.4
[M+H-H2O]+ 152.07116 127.9
[M+HCOO]- 214.07210 157.1
[M+CH3COO]- 228.08775 177.4
[M+Na-2H]- 190.04857 139.2
[M]+ 169.07335 138.5
[M]- 169.07445 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