CID 55284754

Rac-(3r,4s)-4-aminooxolane-3-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C5H9NO3
SMILES
C1[C@@H]([C@@H](CO1)N)C(=O)O
InChI
InChI=1S/C5H9NO3/c6-4-2-9-1-3(4)5(7)8/h3-4H,1-2,6H2,(H,7,8)/t3-,4+/m0/s1
InChIKey
ACCUSSMGNVVSBC-IUYQGCFVSA-N
Compound name
(3R,4S)-4-aminooxolane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

131.05824 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.065516 124.9
[M+Na]+ 154.047458 131.4
[M-H]- 130.050964 127.3
[M+NH4]+ 149.092063 145.9
[M+K]+ 170.021398 131.9
[M+H-H2O]+ 114.055500 120.1
[M+HCOO]- 176.056441 146.3
[M+CH3COO]- 190.072091 168.8
[M+Na-2H]- 152.032906 128.8
[M]+ 131.05769142 121.4
[M]- 131.05878858 121.4
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

patents stripe