CID 87832

2-cyclohexyl-5-phenyloxazole

Structural Information

Molecular Formula
C15H17NO
SMILES
C1CCC(CC1)C2=NC=C(O2)C3=CC=CC=C3
InChI
InChI=1S/C15H17NO/c1-3-7-12(8-4-1)14-11-16-15(17-14)13-9-5-2-6-10-13/h1,3-4,7-8,11,13H,2,5-6,9-10H2
InChIKey
FAYWCJSYKSOODM-UHFFFAOYSA-N
Compound name
2-cyclohexyl-5-phenyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

3
Patents

227.13101 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.138286 151.0
[M+Na]+ 250.120228 156.4
[M-H]- 226.123734 159.2
[M+NH4]+ 245.164833 167.4
[M+K]+ 266.094168 153.8
[M+H-H2O]+ 210.128270 142.5
[M+HCOO]- 272.129211 170.9
[M+CH3COO]- 286.144861 163.0
[M+Na-2H]- 248.105676 155.1
[M]+ 227.13046142 147.1
[M]- 227.13155858 147.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe