CID 48607

Iss 5044

Structural Information

Molecular Formula

C₁₆H₂₆N₂O₄

SMILES

C1CC1C(=O)OCCN2CCN(CC2)CCOC(=O)C3CC3

InChI

InChI=1S/C16H26N2O4/c19-15(13-1-2-13)21-11-9-17-5-7-18(8-6-17)10-12-22-16(20)14-3-4-14/h13-14H,1-12H2

InChIKey

FOIPWUZJJSHOQI-UHFFFAOYSA-N

Compound name

2-[4-[2-(cyclopropanecarbonyloxy)ethyl]piperazin-1-yl]ethyl cyclopropanecarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 310.18927 Da
Monoisotopic Mass: 0.8
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]+	311.196546	189.5
[M+Na]+	333.178488	193.0
[M-H]-	309.181994	194.7
[M+NH4]+	328.223093	190.7
[M+K]+	349.152428	190.0
[M+H-H2O]+	293.186530	181.0
[M+HCOO]-	355.187471	202.7
[M+CH3COO]-	369.203121	212.7
[M+Na-2H]-	331.163936	186.4
[M]+	310.18872142	192.7
[M]-	310.18981858	192.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.