CID 123969717

4-ethynyl-1,3-oxazole

Structural Information

Molecular Formula
C5H3NO
SMILES
C#CC1=COC=N1
InChI
InChI=1S/C5H3NO/c1-2-5-3-7-4-6-5/h1,3-4H
InChIKey
CIYCWTVFVAOOHJ-UHFFFAOYSA-N
Compound name
4-ethynyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

93.02146 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 94.028736 111.3
[M+Na]+ 116.01068 122.8
[M-H]- 92.014184 112.6
[M+NH4]+ 111.05528 131.3
[M+K]+ 131.98462 121.6
[M+H-H2O]+ 76.018720 99.3
[M+HCOO]- 138.01966 130.0
[M+CH3COO]- 152.03531 172.5
[M+Na-2H]- 113.99613 119.3
[M]+ 93.020911 106.8
[M]- 93.022009 106.8
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

patents stripe