CID 105449765

1782558-71-7

Structural Information

Molecular Formula
C9H12N2O3
SMILES
CCOC(=O)C1=NOC(=C1C2CC2)N
InChI
InChI=1S/C9H12N2O3/c1-2-13-9(12)7-6(5-3-4-5)8(10)14-11-7/h5H,2-4,10H2,1H3
InChIKey
NHAMJLJRNFASEQ-UHFFFAOYSA-N
Compound name
ethyl 5-amino-4-cyclopropyl-1,2-oxazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.0848 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.09208 141.7
[M+Na]+ 219.07402 152.0
[M-H]- 195.07752 148.8
[M+NH4]+ 214.11862 155.2
[M+K]+ 235.04796 150.0
[M+H-H2O]+ 179.08206 134.9
[M+HCOO]- 241.08300 165.1
[M+CH3COO]- 255.09865 187.6
[M+Na-2H]- 217.05947 145.6
[M]+ 196.08425 146.5
[M]- 196.08535 146.5
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

No patent data available for this compound.