CID 24837251

Mannostatin b

Structural Information

Molecular Formula
C6H13NO4S
SMILES
C[S@@](=O)C1[C@H]([C@H]([C@H]([C@H]1O)O)O)N
InChI
InChI=1S/C6H13NO4S/c1-12(11)6-2(7)3(8)4(9)5(6)10/h2-6,8-10H,7H2,1H3/t2-,3+,4+,5+,6?,12+/m0/s1
InChIKey
ZJFKRRRXLLAUHQ-BWAQVJHHSA-N
Compound name
(1R,2R,3R,4S)-4-amino-5-[(R)-methylsulfinyl]cyclopentane-1,2,3-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

195.05653 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.06381 139.3
[M+Na]+ 218.04575 146.6
[M-H]- 194.04925 138.9
[M+NH4]+ 213.09035 158.7
[M+K]+ 234.01969 143.8
[M+H-H2O]+ 178.05379 135.2
[M+HCOO]- 240.05473 152.7
[M+CH3COO]- 254.07038 177.2
[M+Na-2H]- 216.03120 136.2
[M]+ 195.05598 136.7
[M]- 195.05708 136.7
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