CID 14819892

5-cyclopropylisoxazole-4-carboxylic acid

Structural Information

Molecular Formula
C7H7NO3
SMILES
C1CC1C2=C(C=NO2)C(=O)O
InChI
InChI=1S/C7H7NO3/c9-7(10)5-3-8-11-6(5)4-1-2-4/h3-4H,1-2H2,(H,9,10)
InChIKey
KIJMAOMSRMPYIY-UHFFFAOYSA-N
Compound name
5-cyclopropyl-1,2-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

124
Patents

153.04259 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.049866 129.1
[M+Na]+ 176.031808 139.7
[M-H]- 152.035314 135.3
[M+NH4]+ 171.076413 143.9
[M+K]+ 192.005748 138.2
[M+H-H2O]+ 136.039850 122.9
[M+HCOO]- 198.040791 151.3
[M+CH3COO]- 212.056441 174.8
[M+Na-2H]- 174.017256 134.9
[M]+ 153.04204142 132.8
[M]- 153.04313858 132.8
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

patents stripe