CID 12494783

15055-75-1

Structural Information

Molecular Formula
C5H7NO3
SMILES
COC(=O)C1CC=NO1
InChI
InChI=1S/C5H7NO3/c1-8-5(7)4-2-3-6-9-4/h3-4H,2H2,1H3
InChIKey
YHIUSKMZXDIGNJ-UHFFFAOYSA-N
Compound name
methyl 4,5-dihydro-1,2-oxazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

129.04259 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.049866 122.1
[M+Na]+ 152.031808 130.1
[M-H]- 128.035314 125.1
[M+NH4]+ 147.076413 143.1
[M+K]+ 168.005748 131.9
[M+H-H2O]+ 112.039850 116.4
[M+HCOO]- 174.040791 144.9
[M+CH3COO]- 188.056441 167.6
[M+Na-2H]- 150.017256 128.8
[M]+ 129.04204142 123.8
[M]- 129.04313858 123.8
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

patents stripe