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]+	201.12337	146.4
[M+Na]+	223.10531	151.0
[M+NH4]+	218.14991	150.2
[M+K]+	239.07925	147.5
[M-H]-	199.10881	145.0
[M+Na-2H]-	221.09076	148.6
[M]+	200.11554	145.3
[M]-	200.11664	145.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe