CID 7171742

Rac-sodium (3ar,6ar)-3ah,4h,5h,6h,6ah-cyclopenta[d][1,2]oxazole-3-carboxylate

Structural Information

Molecular Formula
C7H9NO3
SMILES
C1C[C@H]2[C@@H](C1)ON=C2C(=O)O
InChI
InChI=1S/C7H9NO3/c9-7(10)6-4-2-1-3-5(4)11-8-6/h4-5H,1-3H2,(H,9,10)/t4-,5+/m0/s1
InChIKey
KQTVLXDCOVTAKY-CRCLSJGQSA-N
Compound name
(3aR,6aR)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][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

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.065516 130.1
[M+Na]+ 178.047458 137.9
[M-H]- 154.050964 132.7
[M+NH4]+ 173.092063 152.2
[M+K]+ 194.021398 138.0
[M+H-H2O]+ 138.055500 125.4
[M+HCOO]- 200.056441 149.9
[M+CH3COO]- 214.072091 171.1
[M+Na-2H]- 176.032906 134.1
[M]+ 155.05769142 129.4
[M]- 155.05878858 129.4
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.