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

116
Patents

123.06841 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.07569 121.6
[M+Na]+ 146.05763 132.1
[M-H]- 122.06113 125.3
[M+NH4]+ 141.10223 143.8
[M+K]+ 162.03157 131.8
[M+H-H2O]+ 106.06567 116.5
[M+HCOO]- 168.06661 145.8
[M+CH3COO]- 182.08226 171.3
[M+Na-2H]- 144.04308 128.2
[M]+ 123.06786 124.2
[M]- 123.06896 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