CID 155819858

2741262-68-8

Structural Information

Molecular Formula
C5H11NO3
SMILES
C1C[C@H]([C@@H]([C@@H]1O)O)ON
InChI
InChI=1S/C5H11NO3/c6-9-4-2-1-3(7)5(4)8/h3-5,7-8H,1-2,6H2/t3-,4-,5-/m1/s1
InChIKey
IRCLZMIZZHBGOF-UOWFLXDJSA-N
Compound name
(1R,2R,3R)-3-aminooxycyclopentane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

133.0739 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.081176 125.2
[M+Na]+ 156.063118 132.0
[M-H]- 132.066624 125.7
[M+NH4]+ 151.107723 147.0
[M+K]+ 172.037058 130.9
[M+H-H2O]+ 116.071160 120.6
[M+HCOO]- 178.072101 146.7
[M+CH3COO]- 192.087751 167.6
[M+Na-2H]- 154.048566 128.2
[M]+ 133.07335142 120.9
[M]- 133.07444858 120.9
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.