CID 82400582

5-cyclohexyl-1,2-oxazole-4-carboxylic acid

Structural Information

Molecular Formula
C10H13NO3
SMILES
C1CCC(CC1)C2=C(C=NO2)C(=O)O
InChI
InChI=1S/C10H13NO3/c12-10(13)8-6-11-14-9(8)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,12,13)
InChIKey
BGMZNYHVCYAYON-UHFFFAOYSA-N
Compound name
5-cyclohexyl-1,2-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.08954 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.09682 142.3
[M+Na]+ 218.07876 152.5
[M+NH4]+ 213.12336 149.7
[M+K]+ 234.05270 150.0
[M-H]- 194.08226 145.1
[M+Na-2H]- 216.06421 146.8
[M]+ 195.08899 144.2
[M]- 195.09009 144.2
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

No patent data available for this compound.