CID 9989461

1006619-33-5

Structural Information

Molecular Formula
C6H8N2O3
SMILES
COC(=O)C1=COC(=N1)CN
InChI
InChI=1S/C6H8N2O3/c1-10-6(9)4-3-11-5(2-7)8-4/h3H,2,7H2,1H3
InChIKey
FSKWRNINWRUSHD-UHFFFAOYSA-N
Compound name
methyl 2-(aminomethyl)-1,3-oxazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

156.0535 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.060776 129.5
[M+Na]+ 179.042718 138.1
[M-H]- 155.046224 132.5
[M+NH4]+ 174.087323 149.1
[M+K]+ 195.016658 138.9
[M+H-H2O]+ 139.050760 123.2
[M+HCOO]- 201.051701 153.8
[M+CH3COO]- 215.067351 175.6
[M+Na-2H]- 177.028166 135.2
[M]+ 156.05295142 131.5
[M]- 156.05404858 131.5
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