CID 82413976

2-(3-cyclopropyl-1,2-oxazol-5-yl)acetic acid

Structural Information

Molecular Formula
C8H9NO3
SMILES
C1CC1C2=NOC(=C2)CC(=O)O
InChI
InChI=1S/C8H9NO3/c10-8(11)4-6-3-7(9-12-6)5-1-2-5/h3,5H,1-2,4H2,(H,10,11)
InChIKey
UKHQTXPEYDZFTJ-UHFFFAOYSA-N
Compound name
2-(3-cyclopropyl-1,2-oxazol-5-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.05824 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06552 136.9
[M+Na]+ 190.04746 149.0
[M+NH4]+ 185.09206 144.7
[M+K]+ 206.02140 148.0
[M-H]- 166.05096 145.7
[M+Na-2H]- 188.03291 144.0
[M]+ 167.05769 142.0
[M]- 167.05879 142.0
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.