CID 53808335

5-cyclohexyl-1,3-oxazole

Structural Information

Molecular Formula
C9H13NO
SMILES
C1CCC(CC1)C2=CN=CO2
InChI
InChI=1S/C9H13NO/c1-2-4-8(5-3-1)9-6-10-7-11-9/h6-8H,1-5H2
InChIKey
FAKPZSLBAFTRCJ-UHFFFAOYSA-N
Compound name
5-cyclohexyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

151.09972 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.106996 130.9
[M+Na]+ 174.088938 136.5
[M-H]- 150.092444 136.0
[M+NH4]+ 169.133543 150.6
[M+K]+ 190.062878 136.2
[M+H-H2O]+ 134.096980 123.9
[M+HCOO]- 196.097921 151.4
[M+CH3COO]- 210.113571 144.1
[M+Na-2H]- 172.074386 136.8
[M]+ 151.09917142 127.2
[M]- 151.10026858 127.2
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