CID 2736510

1-heptylpiperazine

Structural Information

Molecular Formula

C₁₁H₂₄N₂

SMILES

CCCCCCCN1CCNCC1

InChI

InChI=1S/C11H24N2/c1-2-3-4-5-6-9-13-10-7-12-8-11-13/h12H,2-11H2,1H3

InChIKey

GFFSNSPNXPELQE-UHFFFAOYSA-N

Compound name

1-heptylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 99
Patents: 184.19395 Da
Monoisotopic Mass: 2.5
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]+	185.20123	148.0
[M+Na]+	207.18317	157.7
[M+NH4]+	202.22777	155.6
[M+K]+	223.15711	150.4
[M-H]-	183.18667	148.5
[M+Na-2H]-	205.16862	151.9
[M]+	184.19340	149.2
[M]-	184.19450	149.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe