CID 54029194

Bacillosamine

Structural Information

Molecular Formula
C6H14N2O3
SMILES
C[C@@H]1[C@H]([C@@H]([C@H](C(O1)O)N)O)N
InChI
InChI=1S/C6H14N2O3/c1-2-3(7)5(9)4(8)6(10)11-2/h2-6,9-10H,7-8H2,1H3/t2-,3-,4-,5+,6?/m1/s1
InChIKey
LEJHBBPEPOZERQ-RSVSWTKNSA-N
Compound name
(3R,4S,5S,6R)-3,5-diamino-6-methyloxane-2,4-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

15
References

187
Patents

162.10045 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.10773 133.5
[M+Na]+ 185.08967 141.4
[M+NH4]+ 180.13427 140.0
[M+K]+ 201.06361 139.2
[M-H]- 161.09317 135.4
[M+Na-2H]- 183.07512 134.6
[M]+ 162.09990 134.6
[M]- 162.10100 134.6
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

patents stripe