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 128.0
[M+Na]+ 174.01617 139.2
[M+NH4]+ 169.06077 131.6
[M+K]+ 189.99011 133.8
[M-H]- 150.01967 120.8
[M+Na-2H]- 172.00162 129.7
[M]+ 151.02640 126.6
[M]- 151.02750 126.6
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.