CID 456853

D-rhamnopyranose tetrazole

Structural Information

Molecular Formula
C6H10N4O3
SMILES
C[C@H]1[C@@H]([C@H]([C@H](C2=NN=NN12)O)O)O
InChI
InChI=1S/C6H10N4O3/c1-2-3(11)4(12)5(13)6-7-8-9-10(2)6/h2-5,11-13H,1H3/t2-,3-,4+,5+/m0/s1
InChIKey
RGTARVZVTUMUSY-QMKXCQHVSA-N
Compound name
(5S,6S,7R,8S)-5-methyl-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine-6,7,8-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.07529 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.08257 139.7
[M+Na]+ 209.06451 149.8
[M+NH4]+ 204.10911 145.1
[M+K]+ 225.03845 149.0
[M-H]- 185.06801 136.8
[M+Na-2H]- 207.04996 140.8
[M]+ 186.07474 139.8
[M]- 186.07584 139.8
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.