CID 5281721

723-78-4

Structural Information

Molecular Formula
C13H19NO3
SMILES
C/C=C(/C)\C(=O)O[C@H]1CCN2[C@@H]1C(=CC2)CO
InChI
InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3-/t11-,12+/m0/s1
InChIKey
TYGYPIIOOQNWBU-ZVRIXJHSSA-N
Compound name
[(1S,8R)-7-(hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-yl] (Z)-2-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

237.13649 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.143766 158.2
[M+Na]+ 260.125708 164.3
[M-H]- 236.129214 159.7
[M+NH4]+ 255.170313 178.5
[M+K]+ 276.099648 162.0
[M+H-H2O]+ 220.133750 152.7
[M+HCOO]- 282.134691 176.0
[M+CH3COO]- 296.150341 189.0
[M+Na-2H]- 258.111156 156.3
[M]+ 237.13594142 157.8
[M]- 237.13703858 157.8
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

patents stripe