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

1
Patents

209.1052 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.112476 145.8
[M+Na]+ 232.094418 151.9
[M-H]- 208.097924 150.2
[M+NH4]+ 227.139023 162.8
[M+K]+ 248.068358 150.9
[M+H-H2O]+ 192.102460 139.1
[M+HCOO]- 254.103401 163.7
[M+CH3COO]- 268.119051 182.5
[M+Na-2H]- 230.079866 147.7
[M]+ 209.10465142 143.3
[M]- 209.10574858 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

patents stripe