CID 28275750

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

Structural Information

Molecular Formula
C8H9NO3
SMILES
CC1=NOC(=C1C(=O)O)C2CC2
InChI
InChI=1S/C8H9NO3/c1-4-6(8(10)11)7(12-9-4)5-2-3-5/h5H,2-3H2,1H3,(H,10,11)
InChIKey
VWANLQRSTXOHJR-UHFFFAOYSA-N
Compound name
5-cyclopropyl-3-methyl-1,2-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

167.05824 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06552 136.3
[M+Na]+ 190.04746 148.8
[M+NH4]+ 185.09206 144.1
[M+K]+ 206.02140 148.0
[M-H]- 166.05096 145.2
[M+Na-2H]- 188.03291 143.2
[M]+ 167.05769 141.5
[M]- 167.05879 141.5
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