CID 72259

Fagomine

Structural Information

Molecular Formula
C6H13NO3
SMILES
C1CN[C@@H]([C@H]([C@@H]1O)O)CO
InChI
InChI=1S/C6H13NO3/c8-3-4-6(10)5(9)1-2-7-4/h4-10H,1-3H2/t4-,5-,6-/m1/s1
InChIKey
YZNNBIPIQWYLDM-HSUXUTPPSA-N
Compound name
(2R,3R,4R)-2-(hydroxymethyl)piperidine-3,4-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

47
References

606
Patents

147.08954 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.09682 132.2
[M+Na]+ 170.07876 137.9
[M-H]- 146.08226 128.7
[M+NH4]+ 165.12336 149.6
[M+K]+ 186.05270 135.2
[M+H-H2O]+ 130.08680 127.2
[M+HCOO]- 192.08774 146.6
[M+CH3COO]- 206.10339 164.3
[M+Na-2H]- 168.06421 135.5
[M]+ 147.08899 124.9
[M]- 147.09009 124.9
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