CID 187805

Dtxsid50960423

Structural Information

Molecular Formula

C₂₁H₃₁NO₈

SMILES

CC(C)C(C(C)OC(=O)C)(C(=O)OCC1=CCN2C1C(CC2)OC(=O)C)OC(=O)C

InChI

InChI=1S/C21H31NO8/c1-12(2)21(30-16(6)25,13(3)28-14(4)23)20(26)27-11-17-7-9-22-10-8-18(19(17)22)29-15(5)24/h7,12-13,18-19H,8-11H2,1-6H3

InChIKey

KUYONALXCVNWJX-UHFFFAOYSA-N

Compound name

(7-acetyloxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl)methyl 2-acetyloxy-2-(1-acetyloxyethyl)-3-methylbutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 425.20496 Da
Monoisotopic Mass: 1.3
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]+	426.212236	199.8
[M+Na]+	448.194178	201.7
[M-H]-	424.197684	202.0
[M+NH4]+	443.238783	212.4
[M+K]+	464.168118	203.7
[M+H-H2O]+	408.202220	195.0
[M+HCOO]-	470.203161	212.3
[M+CH3COO]-	484.218811	226.5
[M+Na-2H]-	446.179626	193.4
[M]+	425.20441142	207.0
[M]-	425.20550858	207.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.