CID 155104

68385-70-6

Structural Information

Molecular Formula

C₁₆H₂₉NO₄

SMILES

CCC(C)C(C(C)O)(C(=O)OCC1CCN2C1CCC2)O

InChI

InChI=1S/C16H29NO4/c1-4-11(2)16(20,12(3)18)15(19)21-10-13-7-9-17-8-5-6-14(13)17/h11-14,18,20H,4-10H2,1-3H3

InChIKey

VBLBKKUAYMFOAG-UHFFFAOYSA-N

Compound name

2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylpentanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 299.20966 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	300.216936	177.4
[M+Na]+	322.198878	179.3
[M-H]-	298.202384	176.5
[M+NH4]+	317.243483	194.0
[M+K]+	338.172818	178.0
[M+H-H2O]+	282.206920	172.3
[M+HCOO]-	344.207861	188.6
[M+CH3COO]-	358.223511	199.5
[M+Na-2H]-	320.184326	173.5
[M]+	299.20911142	175.5
[M]-	299.21020858	175.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.