CID 3047421

63515-46-8

Structural Information

Molecular Formula

C₁₂H₁₅N

SMILES

C1CC2=CC3=C(C=C2C1)C(CC3)N

InChI

InChI=1S/C12H15N/c13-12-5-4-10-6-8-2-1-3-9(8)7-11(10)12/h6-7,12H,1-5,13H2

InChIKey

FHOFVRQYKHLHRP-UHFFFAOYSA-N

Compound name

1,2,3,5,6,7-hexahydro-s-indacen-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 173.12045 Da
Monoisotopic Mass: 2.0
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]+	174.127726	137.5
[M+Na]+	196.109668	145.4
[M-H]-	172.113174	142.6
[M+NH4]+	191.154273	163.2
[M+K]+	212.083608	141.4
[M+H-H2O]+	156.117710	132.7
[M+HCOO]-	218.118651	159.9
[M+CH3COO]-	232.134301	151.2
[M+Na-2H]-	194.095116	141.2
[M]+	173.11990142	133.9
[M]-	173.12099858	133.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe