CID 103691662

2309467-03-4

Structural Information

Molecular Formula

C₉H₁₆N₂O₂

SMILES

COC(=O)C1(CC1)N2CCNCC2

InChI

InChI=1S/C9H16N2O2/c1-13-8(12)9(2-3-9)11-6-4-10-5-7-11/h10H,2-7H2,1H3

InChIKey

QEPNBPBUDBBKEH-UHFFFAOYSA-N

Compound name

methyl 1-piperazin-1-ylcyclopropane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 184.12119 Da
Monoisotopic Mass: -0.1
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]+	185.128466	149.0
[M+Na]+	207.110408	155.7
[M-H]-	183.113914	151.7
[M+NH4]+	202.155013	162.1
[M+K]+	223.084348	153.9
[M+H-H2O]+	167.118450	141.9
[M+HCOO]-	229.119391	165.0
[M+CH3COO]-	243.135041	180.2
[M+Na-2H]-	205.095856	153.4
[M]+	184.12064142	146.8
[M]-	184.12173858	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe