CID 167716172

Rac-(3r,4s)-3-(aminomethyl)oxane-3,4-diol hydrochloride

Structural Information

Molecular Formula
C6H13NO3
SMILES
C1COC[C@@]([C@H]1O)(CN)O
InChI
InChI=1S/C6H13NO3/c7-3-6(9)4-10-2-1-5(6)8/h5,8-9H,1-4,7H2/t5-,6+/m0/s1
InChIKey
PDOYOCDMUDCJRP-NTSWFWBYSA-N
Compound name
(3R,4S)-3-(aminomethyl)oxane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

147.08954 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.09682 129.5
[M+Na]+ 170.07876 138.1
[M+NH4]+ 165.12336 138.3
[M+K]+ 186.05270 133.0
[M-H]- 146.08226 131.3
[M+Na-2H]- 168.06421 133.9
[M]+ 147.08899 131.0
[M]- 147.09009 131.0
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.