CID 84048733

Methyl 5-amino-4-cyano-1,2-oxazole-3-carboxylate

Structural Information

Molecular Formula
C6H5N3O3
SMILES
COC(=O)C1=NOC(=C1C#N)N
InChI
InChI=1S/C6H5N3O3/c1-11-6(10)4-3(2-7)5(8)12-9-4/h8H2,1H3
InChIKey
ZGVINCKJBMJPES-UHFFFAOYSA-N
Compound name
methyl 5-amino-4-cyano-1,2-oxazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.0331 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.04038 130.5
[M+Na]+ 190.02232 141.2
[M-H]- 166.02582 132.9
[M+NH4]+ 185.06692 147.6
[M+K]+ 205.99626 141.5
[M+H-H2O]+ 150.03036 117.2
[M+HCOO]- 212.03130 150.8
[M+CH3COO]- 226.04695 190.8
[M+Na-2H]- 188.00777 135.2
[M]+ 167.03255 127.4
[M]- 167.03365 127.4
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.