CID 15959280

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

Structural Information

Molecular Formula
C14H30N2O3
SMILES
CCCCCCCCN1[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)CN
InChI
InChI=1S/C14H30N2O3/c1-2-3-4-5-6-7-8-16-11(9-15)13(18)14(19)12(16)10-17/h11-14,17-19H,2-10,15H2,1H3/t11-,12-,13-,14-/m1/s1
InChIKey
ZQOZHAANOMSMAU-AAVRWANBSA-N
Compound name
(2R,3R,4R,5R)-2-(aminomethyl)-5-(hydroxymethyl)-1-octylpyrrolidine-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

274.22565 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.23293 169.7
[M+Na]+ 297.21487 174.0
[M-H]- 273.21837 166.7
[M+NH4]+ 292.25947 184.5
[M+K]+ 313.18881 170.1
[M+H-H2O]+ 257.22291 163.3
[M+HCOO]- 319.22385 185.5
[M+CH3COO]- 333.23950 197.7
[M+Na-2H]- 295.20032 166.3
[M]+ 274.22510 168.2
[M]- 274.22620 168.2
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.