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 130.2
[M+Na]+ 170.07876 135.9
[M-H]- 146.08226 131.1
[M+NH4]+ 165.12336 150.2
[M+K]+ 186.05270 135.8
[M+H-H2O]+ 130.08680 125.9
[M+HCOO]- 192.08774 148.4
[M+CH3COO]- 206.10339 169.3
[M+Na-2H]- 168.06421 136.7
[M]+ 147.08899 124.9
[M]- 147.09009 124.9
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.