CID 158732435

2-ethyl-5-ethynyl-1,3-oxazole

Structural Information

Molecular Formula
C7H7NO
SMILES
CCC1=NC=C(O1)C#C
InChI
InChI=1S/C7H7NO/c1-3-6-5-8-7(4-2)9-6/h1,5H,4H2,2H3
InChIKey
TTZUQWKSZVZZEP-UHFFFAOYSA-N
Compound name
2-ethyl-5-ethynyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

121.052765 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.060041 118.9
[M+Na]+ 144.041983 130.5
[M-H]- 120.045489 120.3
[M+NH4]+ 139.086588 138.2
[M+K]+ 160.015923 128.8
[M+H-H2O]+ 104.050025 106.9
[M+HCOO]- 166.050966 137.1
[M+CH3COO]- 180.066616 178.8
[M+Na-2H]- 142.027431 125.4
[M]+ 121.05221642 115.5
[M]- 121.05331358 115.5
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.