CID 85975236

5-methyl-3-(prop-2-yn-1-yloxy)-1,2-oxazole

Structural Information

Molecular Formula
C7H7NO2
SMILES
CC1=CC(=NO1)OCC#C
InChI
InChI=1S/C7H7NO2/c1-3-4-9-7-5-6(2)10-8-7/h1,5H,4H2,2H3
InChIKey
LIXXOZUVQFASJK-UHFFFAOYSA-N
Compound name
5-methyl-3-prop-2-ynoxy-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

137.04768 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.054956 121.2
[M+Na]+ 160.036898 132.7
[M-H]- 136.040404 122.6
[M+NH4]+ 155.081503 139.9
[M+K]+ 176.010838 131.5
[M+H-H2O]+ 120.044940 109.0
[M+HCOO]- 182.045881 139.6
[M+CH3COO]- 196.061531 180.6
[M+Na-2H]- 158.022346 127.7
[M]+ 137.04713142 119.0
[M]- 137.04822858 119.0
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