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

13
Patents

151.09972 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.10700 132.3
[M+Na]+ 174.08894 144.3
[M+NH4]+ 169.13354 141.9
[M+K]+ 190.06288 139.6
[M-H]- 150.09244 137.1
[M+Na-2H]- 172.07439 139.3
[M]+ 151.09917 135.3
[M]- 151.10027 135.3
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