CID 90123376

2-(oxan-4-yl)-1,3-oxazole

Structural Information

Molecular Formula
C8H11NO2
SMILES
C1COCCC1C2=NC=CO2
InChI
InChI=1S/C8H11NO2/c1-4-10-5-2-7(1)8-9-3-6-11-8/h3,6-7H,1-2,4-5H2
InChIKey
DMHXKOMRFHPXDX-UHFFFAOYSA-N
Compound name
2-(oxan-4-yl)-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

153.07898 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.08626 130.7
[M+Na]+ 176.06820 142.7
[M+NH4]+ 171.11280 139.7
[M+K]+ 192.04214 139.2
[M-H]- 152.07170 136.2
[M+Na-2H]- 174.05365 137.0
[M]+ 153.07843 133.9
[M]- 153.07953 133.9
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