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

5
Patents

153.07898 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.086256 129.4
[M+Na]+ 176.068198 135.5
[M-H]- 152.071704 135.3
[M+NH4]+ 171.112803 147.7
[M+K]+ 192.042138 136.8
[M+H-H2O]+ 136.076240 122.7
[M+HCOO]- 198.077181 149.4
[M+CH3COO]- 212.092831 143.0
[M+Na-2H]- 174.053646 136.6
[M]+ 153.07843142 127.4
[M]- 153.07952858 127.4
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