CID 333469

Nsc334378

Structural Information

Molecular Formula
C13H21NO3
SMILES
CC(C)CC(=O)OCC1=CCN2[C@H]1[C@@H](CC2)O
InChI
InChI=1S/C13H21NO3/c1-9(2)7-12(16)17-8-10-3-5-14-6-4-11(15)13(10)14/h3,9,11,13,15H,4-8H2,1-2H3/t11-,13-/m1/s1
InChIKey
YVBVGQNSEZBESK-DGCLKSJQSA-N
Compound name
[(7R,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

239.15215 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.15943 159.1
[M+Na]+ 262.14137 164.8
[M-H]- 238.14487 160.5
[M+NH4]+ 257.18597 179.3
[M+K]+ 278.11531 163.1
[M+H-H2O]+ 222.14941 153.5
[M+HCOO]- 284.15035 176.7
[M+CH3COO]- 298.16600 190.5
[M+Na-2H]- 260.12682 157.1
[M]+ 239.15160 159.4
[M]- 239.15270 159.4
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.