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]+ 259.12886 157.9
[M+Na]+ 281.11080 165.3
[M-H]- 257.11430 158.4
[M+NH4]+ 276.15540 172.1
[M+K]+ 297.08474 163.7
[M+H-H2O]+ 241.11884 152.2
[M+HCOO]- 303.11978 172.2
[M+CH3COO]- 317.13543 187.4
[M+Na-2H]- 279.09625 155.1
[M]+ 258.12103 157.4
[M]- 258.12213 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.