CID 3068079

Vufb-10709

Structural Information

Molecular Formula

C₁₄H₁₉N

SMILES

C1CC2=CC3=C(CCC3)C(=C2C1)CCN

InChI

InChI=1S/C14H19N/c15-8-7-14-12-5-1-3-10(12)9-11-4-2-6-13(11)14/h9H,1-8,15H2

InChIKey

VLKCMJQOTWCJEO-UHFFFAOYSA-N

Compound name

2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 201.15175 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]+	202.15903	147.0
[M+Na]+	224.14097	153.9
[M-H]-	200.14447	151.6
[M+NH4]+	219.18557	171.5
[M+K]+	240.11491	149.4
[M+H-H2O]+	184.14901	141.7
[M+HCOO]-	246.14995	168.6
[M+CH3COO]-	260.16560	159.7
[M+Na-2H]-	222.12642	149.4
[M]+	201.15120	143.9
[M]-	201.15230	143.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe