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 130.9
[M+Na]+ 174.08894 136.5
[M-H]- 150.09244 136.0
[M+NH4]+ 169.13354 150.6
[M+K]+ 190.06288 136.2
[M+H-H2O]+ 134.09698 123.9
[M+HCOO]- 196.09792 151.4
[M+CH3COO]- 210.11357 144.1
[M+Na-2H]- 172.07439 136.8
[M]+ 151.09917 127.2
[M]- 151.10027 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