CID 11116544

2-amino-beta-d-arabinofurano[1',2':4,5]oxazoline

Structural Information

Molecular Formula
C6H10N2O4
SMILES
C([C@@H]1[C@H]([C@H]2[C@@H](O1)N=C(O2)N)O)O
InChI
InChI=1S/C6H10N2O4/c7-6-8-5-4(12-6)3(10)2(1-9)11-5/h2-5,9-10H,1H2,(H2,7,8)/t2-,3-,4+,5-/m1/s1
InChIKey
IVFVSTOFYHUJRU-SQOUGZDYSA-N
Compound name
(3aR,5R,6R,6aS)-2-amino-5-(hydroxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazol-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

174.06406 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.07134 132.9
[M+Na]+ 197.05328 141.4
[M-H]- 173.05678 134.8
[M+NH4]+ 192.09788 152.2
[M+K]+ 213.02722 141.7
[M+H-H2O]+ 157.06132 128.6
[M+HCOO]- 219.06226 151.8
[M+CH3COO]- 233.07791 175.0
[M+Na-2H]- 195.03873 137.2
[M]+ 174.06351 132.4
[M]- 174.06461 132.4
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

patents stripe