CID 16227675

3-{5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl}propanoic acid

Structural Information

Molecular Formula
C16H19NO3
SMILES
CC(C)CC1=CC=C(C=C1)C2=CN=C(O2)CCC(=O)O
InChI
InChI=1S/C16H19NO3/c1-11(2)9-12-3-5-13(6-4-12)14-10-17-15(20-14)7-8-16(18)19/h3-6,10-11H,7-9H2,1-2H3,(H,18,19)
InChIKey
VISKHAXVXGLINM-UHFFFAOYSA-N
Compound name
3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.1365 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.14378 164.4
[M+Na]+ 296.12572 176.2
[M+NH4]+ 291.17032 170.9
[M+K]+ 312.09966 172.7
[M-H]- 272.12922 167.4
[M+Na-2H]- 294.11117 169.5
[M]+ 273.13595 166.8
[M]- 273.13705 166.8
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.