CID 3046863

62819-36-7

Structural Information

Molecular Formula

C₁₃H₁₉N

SMILES

CN(C)C1CCC2=CC=CC=C2CC1

InChI

InChI=1S/C13H19N/c1-14(2)13-9-7-11-5-3-4-6-12(11)8-10-13/h3-6,13H,7-10H2,1-2H3

InChIKey

KCNTVWUREVQILW-UHFFFAOYSA-N

Compound name

N,N-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 189.15175 Da
Monoisotopic Mass: 3.0
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]+	190.15903	139.2
[M+Na]+	212.14097	143.1
[M-H]-	188.14447	145.6
[M+NH4]+	207.18557	159.1
[M+K]+	228.11491	145.4
[M+H-H2O]+	172.14901	134.3
[M+HCOO]-	234.14995	160.4
[M+CH3COO]-	248.16560	192.2
[M+Na-2H]-	210.12642	145.2
[M]+	189.15120	134.5
[M]-	189.15230	134.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe