CID 478937

2,5-anhydro-6-deoxy-6-{[1-(hydroxymethyl)-propyl]amino}-2,5-imino-d-glucitol

Structural Information

Molecular Formula
C10H22N2O4
SMILES
CCC(CO)NC[C@@H]1[C@H]([C@@H]([C@@H](N1)CO)O)O
InChI
InChI=1S/C10H22N2O4/c1-2-6(4-13)11-3-7-9(15)10(16)8(5-14)12-7/h6-16H,2-5H2,1H3/t6?,7-,8+,9-,10-/m1/s1
InChIKey
VIYLGDBKIDDIRR-JNSGDMPLSA-N
Compound name
(2R,3R,4R,5S)-2-[(1-hydroxybutan-2-ylamino)methyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

234.15796 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.16524 155.7
[M+Na]+ 257.14718 159.5
[M-H]- 233.15068 150.8
[M+NH4]+ 252.19178 170.4
[M+K]+ 273.12112 156.2
[M+H-H2O]+ 217.15522 149.9
[M+HCOO]- 279.15616 169.5
[M+CH3COO]- 293.17181 183.7
[M+Na-2H]- 255.13263 153.9
[M]+ 234.15741 150.3
[M]- 234.15851 150.3
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.