CID 55218404

2247103-54-2

Structural Information

Molecular Formula
C6H8N2O3
SMILES
COC(=O)C1=NOC(=C1)CN
InChI
InChI=1S/C6H8N2O3/c1-10-6(9)5-2-4(3-7)11-8-5/h2H,3,7H2,1H3
InChIKey
WYHRMWNCHBITDZ-UHFFFAOYSA-N
Compound name
methyl 5-(aminomethyl)-1,2-oxazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.0535 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.06078 130.4
[M+Na]+ 179.04272 140.1
[M+NH4]+ 174.08732 137.0
[M+K]+ 195.01666 138.7
[M-H]- 155.04622 131.4
[M+Na-2H]- 177.02817 134.1
[M]+ 156.05295 131.7
[M]- 156.05405 131.7
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

No patent data available for this compound.