CID 15121508

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

Structural Information

Molecular Formula
C11H15NO3
SMILES
CC1=C(C(=NO1)C2CCCCC2)C(=O)O
InChI
InChI=1S/C11H15NO3/c1-7-9(11(13)14)10(12-15-7)8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H,13,14)
InChIKey
ZYCDJLZFOUQYKT-UHFFFAOYSA-N
Compound name
3-cyclohexyl-5-methyl-1,2-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.1052 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.11248 145.8
[M+Na]+ 232.09442 151.9
[M-H]- 208.09792 150.2
[M+NH4]+ 227.13902 162.8
[M+K]+ 248.06836 150.9
[M+H-H2O]+ 192.10246 139.1
[M+HCOO]- 254.10340 163.7
[M+CH3COO]- 268.11905 182.5
[M+Na-2H]- 230.07987 147.7
[M]+ 209.10465 143.3
[M]- 209.10575 143.3
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

No patent data available for this compound.