CID 75481681

Methyl 3-(piperazin-1-yl)oxetane-3-carboxylate

Structural Information

Molecular Formula

C₉H₁₆N₂O₃

SMILES

COC(=O)C1(COC1)N2CCNCC2

InChI

InChI=1S/C9H16N2O3/c1-13-8(12)9(6-14-7-9)11-4-2-10-3-5-11/h10H,2-7H2,1H3

InChIKey

JAYJGEQVGGXCAY-UHFFFAOYSA-N

Compound name

methyl 3-piperazin-1-yloxetane-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 200.11609 Da
Monoisotopic Mass: -1.0
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]+	201.123366	142.3
[M+Na]+	223.105308	145.2
[M-H]-	199.108814	144.3
[M+NH4]+	218.149913	151.6
[M+K]+	239.079248	148.7
[M+H-H2O]+	183.113350	130.1
[M+HCOO]-	245.114291	155.7
[M+CH3COO]-	259.129941	181.9
[M+Na-2H]-	221.090756	147.3
[M]+	200.11554142	146.6
[M]-	200.11663858	146.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe