CID 215134

35047-52-0

Structural Information

Molecular Formula

C₁₆H₂₄N₂

SMILES

CN1CCN(CC1)C2CCCCC3=CC=CC=C23

InChI

InChI=1S/C16H24N2/c1-17-10-12-18(13-11-17)16-9-5-3-7-14-6-2-4-8-15(14)16/h2,4,6,8,16H,3,5,7,9-13H2,1H3

InChIKey

OSZANGXLRGNTMM-UHFFFAOYSA-N

Compound name

1-methyl-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 244.19395 Da
Monoisotopic Mass: 2.9
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]+	245.201226	158.0
[M+Na]+	267.183168	160.9
[M-H]-	243.186674	162.2
[M+NH4]+	262.227773	172.3
[M+K]+	283.157108	160.2
[M+H-H2O]+	227.191210	149.1
[M+HCOO]-	289.192151	171.3
[M+CH3COO]-	303.207801	167.1
[M+Na-2H]-	265.168616	161.1
[M]+	244.19340142	148.4
[M]-	244.19449858	148.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe