CID 124189

Mannostatin a

Structural Information

Molecular Formula
C6H13NO3S
SMILES
CS[C@@H]1[C@H]([C@H]([C@H]([C@H]1O)O)O)N
InChI
InChI=1S/C6H13NO3S/c1-11-6-2(7)3(8)4(9)5(6)10/h2-6,8-10H,7H2,1H3/t2-,3+,4+,5+,6+/m0/s1
InChIKey
BLOFGONIVNXZME-YDMGZANHSA-N
Compound name
(1R,2R,3R,4S,5R)-4-amino-5-methylsulfanylcyclopentane-1,2,3-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

8046
Patents

179.06161 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.06889 136.8
[M+Na]+ 202.05083 143.5
[M+NH4]+ 197.09543 143.8
[M+K]+ 218.02477 140.8
[M-H]- 178.05433 136.2
[M+Na-2H]- 200.03628 136.8
[M]+ 179.06106 137.5
[M]- 179.06216 137.5
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