CID 6475858

Sri 8729

Structural Information

Molecular Formula
C15H27NO4
SMILES
CC(=CC/C(=C/CN1[C@@H]([C@H]([C@@H]([C@@H]1CO)O)O)CO)/C)C
InChI
InChI=1S/C15H27NO4/c1-10(2)4-5-11(3)6-7-16-12(8-17)14(19)15(20)13(16)9-18/h4,6,12-15,17-20H,5,7-9H2,1-3H3/b11-6+/t12-,13+,14-,15-/m1/s1
InChIKey
KCMNQRSZIVEEPQ-LADTVORHSA-N
Compound name
(2R,3R,4R,5S)-1-[(2E)-3,6-dimethylhepta-2,5-dienyl]-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

285.194 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.20128 172.3
[M+Na]+ 308.18322 176.8
[M-H]- 284.18672 168.6
[M+NH4]+ 303.22782 186.4
[M+K]+ 324.15716 172.5
[M+H-H2O]+ 268.19126 166.9
[M+HCOO]- 330.19220 184.4
[M+CH3COO]- 344.20785 194.9
[M+Na-2H]- 306.16867 166.2
[M]+ 285.19345 169.6
[M]- 285.19455 169.6
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

No patent data available for this compound.