CID 3046871

Dtxsid30978501

Structural Information

Molecular Formula

C₁₂H₁₅N

SMILES

CNC1CCC2=CC=CC=C2C=C1

InChI

InChI=1S/C12H15N/c1-13-12-8-6-10-4-2-3-5-11(10)7-9-12/h2-6,8,12-13H,7,9H2,1H3

InChIKey

LVDLUVNNZAIWGM-UHFFFAOYSA-N

Compound name

N-methyl-8,9-dihydro-7H-benzo[7]annulen-7-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 173.12045 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]+	174.127726	134.3
[M+Na]+	196.109668	139.4
[M-H]-	172.113174	139.7
[M+NH4]+	191.154273	154.2
[M+K]+	212.083608	140.6
[M+H-H2O]+	156.117710	129.7
[M+HCOO]-	218.118651	156.7
[M+CH3COO]-	232.134301	147.1
[M+Na-2H]-	194.095116	142.4
[M]+	173.11990142	129.4
[M]-	173.12099858	129.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe