CID 10198

Retronecine

Structural Information

Molecular Formula
C8H13NO2
SMILES
C1CN2CC=C([C@@H]2[C@@H]1O)CO
InChI
InChI=1S/C8H13NO2/c10-5-6-1-3-9-4-2-7(11)8(6)9/h1,7-8,10-11H,2-5H2/t7-,8-/m1/s1
InChIKey
HJSJELVDQOXCHO-HTQZYQBOSA-N
Compound name
(1R,8R)-7-(hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-ol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

44
References

157
Patents

155.09464 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.10192 133.4
[M+Na]+ 178.08386 141.3
[M-H]- 154.08736 134.1
[M+NH4]+ 173.12846 156.6
[M+K]+ 194.05780 139.0
[M+H-H2O]+ 138.09190 128.7
[M+HCOO]- 200.09284 152.9
[M+CH3COO]- 214.10849 170.7
[M+Na-2H]- 176.06931 136.0
[M]+ 155.09409 130.8
[M]- 155.09519 130.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.