CID 478936

(2r,3s,4s)-2-[[1-(hydroxymethyl)propylamino]methyl]-5-methoxy-tetrahydrofuran-3,4-diol

Structural Information

Molecular Formula
C10H21NO5
SMILES
CCC(CO)NC[C@@H]1[C@H]([C@@H](C(O1)OC)O)O
InChI
InChI=1S/C10H21NO5/c1-3-6(5-12)11-4-7-8(13)9(14)10(15-2)16-7/h6-14H,3-5H2,1-2H3/t6?,7-,8-,9+,10?/m1/s1
InChIKey
OVDHYOWETAAHAP-ACQSPKOOSA-N
Compound name
(2R,3S,4S)-2-[(1-hydroxybutan-2-ylamino)methyl]-5-methoxyoxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

235.14197 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.14925 154.0
[M+Na]+ 258.13119 158.6
[M-H]- 234.13469 153.8
[M+NH4]+ 253.17579 170.1
[M+K]+ 274.10513 158.3
[M+H-H2O]+ 218.13923 148.7
[M+HCOO]- 280.14017 171.4
[M+CH3COO]- 294.15582 187.7
[M+Na-2H]- 256.11664 154.3
[M]+ 235.14142 154.0
[M]- 235.14252 154.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.