CID 415812

64262-23-3

Structural Information

Molecular Formula

C₇H₁₆N₂

SMILES

CCCN1CCNCC1

InChI

InChI=1S/C7H16N2/c1-2-5-9-6-3-8-4-7-9/h8H,2-7H2,1H3

InChIKey

QLEIDMAURCRVCX-UHFFFAOYSA-N

Compound name

1-propylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 5471
Patents: 128.13135 Da
Monoisotopic Mass: 0.5
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]+	129.13863	130.8
[M+Na]+	151.12057	135.5
[M-H]-	127.12407	129.1
[M+NH4]+	146.16517	149.2
[M+K]+	167.09451	133.8
[M+H-H2O]+	111.12861	123.8
[M+HCOO]-	173.12955	147.4
[M+CH3COO]-	187.14520	169.1
[M+Na-2H]-	149.10602	136.5
[M]+	128.13080	124.7
[M]-	128.13190	124.7

Literature stripe

literature stripe

Patent stripe

patents stripe