CID 3040002

51490-27-8

Structural Information

Molecular Formula

C₁₈H₂₄N₂

SMILES

C#CCN1CCN(CC1)C2=CC3=C(CCCCC3)C=C2

InChI

InChI=1S/C18H24N2/c1-2-10-19-11-13-20(14-12-19)18-9-8-16-6-4-3-5-7-17(16)15-18/h1,8-9,15H,3-7,10-14H2

InChIKey

YDDRBAOOXFFCRI-UHFFFAOYSA-N

Compound name

1-prop-2-ynyl-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 268.19394 Da
Monoisotopic Mass: 3.9
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]+	269.201216	160.8
[M+Na]+	291.183158	166.4
[M-H]-	267.186664	162.5
[M+NH4]+	286.227763	172.4
[M+K]+	307.157098	161.3
[M+H-H2O]+	251.191200	146.3
[M+HCOO]-	313.192141	168.9
[M+CH3COO]-	327.207791	167.9
[M+Na-2H]-	289.168606	162.3
[M]+	268.19339142	147.0
[M]-	268.19448858	147.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.