CID 6454888

3,7-dimethyloct-6-enyl 5-oxo-dl-prolinate

Structural Information

Molecular Formula

C₁₅H₂₅NO₃

SMILES

CC(CCC=C(C)C)CCOC(=O)C1CCC(=O)N1

InChI

InChI=1S/C15H25NO3/c1-11(2)5-4-6-12(3)9-10-19-15(18)13-7-8-14(17)16-13/h5,12-13H,4,6-10H2,1-3H3,(H,16,17)

InChIKey

IPCMWVOBEOLDAO-UHFFFAOYSA-N

Compound name

3,7-dimethyloct-6-enyl 5-oxopyrrolidine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 267.18344 Da
Monoisotopic Mass: 3.2
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]+	268.190716	168.6
[M+Na]+	290.172658	171.9
[M-H]-	266.176164	168.1
[M+NH4]+	285.217263	184.6
[M+K]+	306.146598	169.4
[M+H-H2O]+	250.180700	161.9
[M+HCOO]-	312.181641	184.4
[M+CH3COO]-	326.197291	196.0
[M+Na-2H]-	288.158106	164.6
[M]+	267.18289142	167.6
[M]-	267.18398858	167.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.