CID 45089101

2701898-82-8

Structural Information

Molecular Formula
C5H9NO3
SMILES
C1[C@H](CO[C@@H]1C(=O)O)N
InChI
InChI=1S/C5H9NO3/c6-3-1-4(5(7)8)9-2-3/h3-4H,1-2,6H2,(H,7,8)/t3-,4+/m1/s1
InChIKey
WBSHKPHBCVYGRZ-DMTCNVIQSA-N
Compound name
(2S,4R)-4-aminooxolane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

131.05824 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.06552 124.9
[M+Na]+ 154.04746 131.4
[M-H]- 130.05096 127.3
[M+NH4]+ 149.09206 145.9
[M+K]+ 170.02140 131.9
[M+H-H2O]+ 114.05550 120.1
[M+HCOO]- 176.05644 146.3
[M+CH3COO]- 190.07209 168.8
[M+Na-2H]- 152.03291 128.8
[M]+ 131.05769 121.4
[M]- 131.05879 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

No patent data available for this compound.