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 140.7
[M+Na]+ 209.06451 150.9
[M-H]- 185.06801 136.8
[M+NH4]+ 204.10911 156.4
[M+K]+ 225.03845 147.9
[M+H-H2O]+ 169.07255 133.8
[M+HCOO]- 231.07349 154.6
[M+CH3COO]- 245.08914 175.4
[M+Na-2H]- 207.04996 144.3
[M]+ 186.07474 138.6
[M]- 186.07584 138.6
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.