CID 15959282

(2r,3r,4r,5r)-2-(aminomethyl)-1-decyl-5-(hydroxymethyl)pyrrolidine-3,4-diol

Structural Information

Molecular Formula
C16H34N2O3
SMILES
CCCCCCCCCCN1[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)CN
InChI
InChI=1S/C16H34N2O3/c1-2-3-4-5-6-7-8-9-10-18-13(11-17)15(20)16(21)14(18)12-19/h13-16,19-21H,2-12,17H2,1H3/t13-,14-,15-,16-/m1/s1
InChIKey
CTTUDDHMDSGKKX-KLHDSHLOSA-N
Compound name
(2R,3R,4R,5R)-2-(aminomethyl)-1-decyl-5-(hydroxymethyl)pyrrolidine-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

302.25696 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.26424 178.3
[M+Na]+ 325.24618 181.8
[M-H]- 301.24968 174.9
[M+NH4]+ 320.29078 191.9
[M+K]+ 341.22012 177.3
[M+H-H2O]+ 285.25422 171.6
[M+HCOO]- 347.25516 193.4
[M+CH3COO]- 361.27081 203.7
[M+Na-2H]- 323.23163 173.9
[M]+ 302.25641 177.5
[M]- 302.25751 177.5
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

No patent data available for this compound.