CID 132398568

Ethyl 5-(isocyanomethyl)-1,3-oxazole-4-carboxylate

Structural Information

Molecular Formula
C8H8N2O3
SMILES
CCOC(=O)C1=C(OC=N1)C[N+]#[C-]
InChI
InChI=1S/C8H8N2O3/c1-3-12-8(11)7-6(4-9-2)13-5-10-7/h5H,3-4H2,1H3
InChIKey
UNUGAZVWALMTOB-UHFFFAOYSA-N
Compound name
ethyl 5-(isocyanomethyl)-1,3-oxazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.0535 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.06078 136.4
[M+Na]+ 203.04272 148.1
[M+NH4]+ 198.08732 140.2
[M+K]+ 219.01666 143.8
[M-H]- 179.04622 131.0
[M+Na-2H]- 201.02817 138.0
[M]+ 180.05295 135.5
[M]- 180.05405 135.5
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.