CID 126945

1-hemri

Structural Information

Molecular Formula
C11H18N2O5
SMILES
CC1=C(N=CN1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)[C@@H](C)O
InChI
InChI=1S/C11H18N2O5/c1-5-8(6(2)15)12-4-13(5)11-10(17)9(16)7(3-14)18-11/h4,6-7,9-11,14-17H,3H2,1-2H3/t6-,7-,9-,10-,11-/m1/s1
InChIKey
VMPSPVJCVIVEIK-JBSYKWBFSA-N
Compound name
(2R,3R,4S,5R)-2-[4-[(1R)-1-hydroxyethyl]-5-methylimidazol-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

258.12158 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.128856 157.9
[M+Na]+ 281.110798 165.3
[M-H]- 257.114304 158.4
[M+NH4]+ 276.155403 172.1
[M+K]+ 297.084738 163.7
[M+H-H2O]+ 241.118840 152.2
[M+HCOO]- 303.119781 172.2
[M+CH3COO]- 317.135431 187.4
[M+Na-2H]- 279.096246 155.1
[M]+ 258.12103142 157.4
[M]- 258.12212858 157.4
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.