CID 11309596

Methyl 2-ethynyl-1,3-oxazole-4-carboxylate

Structural Information

Molecular Formula
C7H5NO3
SMILES
COC(=O)C1=COC(=N1)C#C
InChI
InChI=1S/C7H5NO3/c1-3-6-8-5(4-11-6)7(9)10-2/h1,4H,2H3
InChIKey
LTCGGWPHKYTTOA-UHFFFAOYSA-N
Compound name
methyl 2-ethynyl-1,3-oxazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.02695 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.03423 125.1
[M+Na]+ 174.01617 136.5
[M-H]- 150.01967 126.6
[M+NH4]+ 169.06077 143.1
[M+K]+ 189.99011 135.7
[M+H-H2O]+ 134.02421 112.8
[M+HCOO]- 196.02515 142.9
[M+CH3COO]- 210.04080 181.8
[M+Na-2H]- 172.00162 130.3
[M]+ 151.02640 122.9
[M]- 151.02750 122.9
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.