CID 15959281

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

Structural Information

Molecular Formula
C15H32N2O3
SMILES
CCCCCCCCCN1[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)CN
InChI
InChI=1S/C15H32N2O3/c1-2-3-4-5-6-7-8-9-17-12(10-16)14(19)15(20)13(17)11-18/h12-15,18-20H,2-11,16H2,1H3/t12-,13-,14-,15-/m1/s1
InChIKey
NQWGNEHVIDPKNA-KBUPBQIOSA-N
Compound name
(2R,3R,4R,5R)-2-(aminomethyl)-5-(hydroxymethyl)-1-nonylpyrrolidine-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.2413 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.24858 174.1
[M+Na]+ 311.23052 177.9
[M-H]- 287.23402 170.8
[M+NH4]+ 306.27512 188.2
[M+K]+ 327.20446 173.7
[M+H-H2O]+ 271.23856 167.5
[M+HCOO]- 333.23950 189.4
[M+CH3COO]- 347.25515 200.7
[M+Na-2H]- 309.21597 170.1
[M]+ 288.24075 172.8
[M]- 288.24185 172.8
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.