CID 165797654

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

Structural Information

Molecular Formula
C8H11NO2
SMILES
C1COCCC1C2=CN=CO2
InChI
InChI=1S/C8H11NO2/c1-3-10-4-2-7(1)8-5-9-6-11-8/h5-7H,1-4H2
InChIKey
YBXIOGOVIYOCRD-UHFFFAOYSA-N
Compound name
5-(oxan-4-yl)-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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 129.4
[M+Na]+ 176.06820 135.5
[M-H]- 152.07170 135.3
[M+NH4]+ 171.11280 147.7
[M+K]+ 192.04214 136.8
[M+H-H2O]+ 136.07624 122.7
[M+HCOO]- 198.07718 149.4
[M+CH3COO]- 212.09283 143.0
[M+Na-2H]- 174.05365 136.6
[M]+ 153.07843 127.4
[M]- 153.07953 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