CID 89976630

2408962-94-5

Structural Information

Molecular Formula
C6H5NO
SMILES
CC1=NC=C(O1)C#C
InChI
InChI=1S/C6H5NO/c1-3-6-4-7-5(2)8-6/h1,4H,2H3
InChIKey
ONLOXRRPHKYLAA-UHFFFAOYSA-N
Compound name
5-ethynyl-2-methyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

107.03712 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.044396 114.8
[M+Na]+ 130.026338 126.7
[M-H]- 106.029844 116.4
[M+NH4]+ 125.070943 134.6
[M+K]+ 146.000278 125.4
[M+H-H2O]+ 90.034380 102.9
[M+HCOO]- 152.035321 133.3
[M+CH3COO]- 166.050971 176.1
[M+Na-2H]- 128.011786 121.7
[M]+ 107.03657142 111.0
[M]- 107.03766858 111.0
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