CID 258290

71172-49-1

Structural Information

Molecular Formula

C₁₃H₂₂N₂O

SMILES

CN1CCN(CC1)CC2C3CCC(C3)C2=O

InChI

InChI=1S/C13H22N2O/c1-14-4-6-15(7-5-14)9-12-10-2-3-11(8-10)13(12)16/h10-12H,2-9H2,1H3

InChIKey

AZDLVOLXVIREKE-UHFFFAOYSA-N

Compound name

3-[(4-methylpiperazin-1-yl)methyl]bicyclo[2.2.1]heptan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 222.17322 Da
Monoisotopic Mass: 0.9
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]+	223.18050	154.5
[M+Na]+	245.16244	163.2
[M+NH4]+	240.20704	163.3
[M+K]+	261.13638	160.4
[M-H]-	221.16594	155.7
[M+Na-2H]-	243.14789	155.4
[M]+	222.17267	155.7
[M]-	222.17377	155.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe