CID 445245

Nojirimycine tetrazole

Structural Information

Molecular Formula
C6H10N4O4
SMILES
C([C@@H]1[C@H]([C@@H]([C@H](C2=NN=NN12)O)O)O)O
InChI
InChI=1S/C6H10N4O4/c11-1-2-3(12)4(13)5(14)6-7-8-9-10(2)6/h2-5,11-14H,1H2/t2-,3-,4+,5-/m1/s1
InChIKey
UCJXQRFJERKPOZ-SQOUGZDYSA-N
Compound name
(5R,6R,7S,8S)-5-(hydroxymethyl)-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine-6,7,8-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

202.0702 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.07748 143.5
[M+Na]+ 225.05942 153.1
[M-H]- 201.06292 138.3
[M+NH4]+ 220.10402 157.8
[M+K]+ 241.03336 149.8
[M+H-H2O]+ 185.06746 136.7
[M+HCOO]- 247.06840 156.1
[M+CH3COO]- 261.08405 175.5
[M+Na-2H]- 223.04487 146.8
[M]+ 202.06965 141.1
[M]- 202.07075 141.1
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.