CID 910190

4-ethenyl-3,5-dimethyl-1,2-oxazole

Structural Information

Molecular Formula
C7H9NO
SMILES
CC1=C(C(=NO1)C)C=C
InChI
InChI=1S/C7H9NO/c1-4-7-5(2)8-9-6(7)3/h4H,1H2,2-3H3
InChIKey
RYIHZFZTDJNDGM-UHFFFAOYSA-N
Compound name
4-ethenyl-3,5-dimethyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

123.06841 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.075686 121.6
[M+Na]+ 146.057628 132.1
[M-H]- 122.061134 125.3
[M+NH4]+ 141.102233 143.8
[M+K]+ 162.031568 131.8
[M+H-H2O]+ 106.065670 116.5
[M+HCOO]- 168.066611 145.8
[M+CH3COO]- 182.082261 171.3
[M+Na-2H]- 144.043076 128.2
[M]+ 123.06786142 124.2
[M]- 123.06895858 124.2
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