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

29
Patents

129.04259 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.04987 122.1
[M+Na]+ 152.03181 130.1
[M-H]- 128.03531 125.1
[M+NH4]+ 147.07641 143.1
[M+K]+ 168.00575 131.9
[M+H-H2O]+ 112.03985 116.4
[M+HCOO]- 174.04079 144.9
[M+CH3COO]- 188.05644 167.6
[M+Na-2H]- 150.01726 128.8
[M]+ 129.04204 123.8
[M]- 129.04314 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