CID 2736940

496808-03-8

Structural Information

Molecular Formula

C₁₁H₂₃N₃

SMILES

CN1CCCC(C1)CN2CCNCC2

InChI

InChI=1S/C11H23N3/c1-13-6-2-3-11(9-13)10-14-7-4-12-5-8-14/h11-12H,2-10H2,1H3

InChIKey

JNRZWBOVQVAUTC-UHFFFAOYSA-N

Compound name

1-[(1-methylpiperidin-3-yl)methyl]piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 176
Patents: 197.1892 Da
Monoisotopic Mass: 0.4
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]+	198.196476	151.8
[M+Na]+	220.178418	154.0
[M-H]-	196.181924	150.8
[M+NH4]+	215.223023	165.6
[M+K]+	236.152358	150.8
[M+H-H2O]+	180.186460	142.2
[M+HCOO]-	242.187401	162.8
[M+CH3COO]-	256.203051	181.9
[M+Na-2H]-	218.163866	153.8
[M]+	197.18865142	141.2
[M]-	197.18974858	141.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe