CID 543662

3-aminotetrahydrofuran-3-carboxylic acid

Structural Information

Molecular Formula
C5H9NO3
SMILES
C1COCC1(C(=O)O)N
InChI
InChI=1S/C5H9NO3/c6-5(4(7)8)1-2-9-3-5/h1-3,6H2,(H,7,8)
InChIKey
ATUWXXVBEAYCSQ-UHFFFAOYSA-N
Compound name
3-aminooxolane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

238
Patents

131.05824 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.065516 124.4
[M+Na]+ 154.047458 130.8
[M-H]- 130.050964 126.7
[M+NH4]+ 149.092063 147.1
[M+K]+ 170.021398 131.5
[M+H-H2O]+ 114.055500 120.3
[M+HCOO]- 176.056441 145.7
[M+CH3COO]- 190.072091 167.2
[M+Na-2H]- 152.032906 130.3
[M]+ 131.05769142 120.8
[M]- 131.05878858 120.8
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