CID 83635426

4-propyl-1,2-oxazole-3-carboxylic acid

Structural Information

Molecular Formula
C7H9NO3
SMILES
CCCC1=CON=C1C(=O)O
InChI
InChI=1S/C7H9NO3/c1-2-3-5-4-11-8-6(5)7(9)10/h4H,2-3H2,1H3,(H,9,10)
InChIKey
DUZCJWZZMQVXHU-UHFFFAOYSA-N
Compound name
4-propyl-1,2-oxazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.05824 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.065516 129.8
[M+Na]+ 178.047458 138.4
[M-H]- 154.050964 131.7
[M+NH4]+ 173.092063 149.4
[M+K]+ 194.021398 138.5
[M+H-H2O]+ 138.055500 124.1
[M+HCOO]- 200.056441 151.9
[M+CH3COO]- 214.072091 172.5
[M+Na-2H]- 176.032906 135.2
[M]+ 155.05769142 132.2
[M]- 155.05878858 132.2
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.