CID 5626

82668-33-5

Structural Information

Molecular Formula

C₁₇H₂₇NO₂

SMILES

CCCN(CCC)C1CC2=CC(=C(C=C2C1)OC)OC

InChI

InChI=1S/C17H27NO2/c1-5-7-18(8-6-2)15-9-13-11-16(19-3)17(20-4)12-14(13)10-15/h11-12,15H,5-10H2,1-4H3

InChIKey

UOLJKAPABHXFRE-UHFFFAOYSA-N

Compound name

5,6-dimethoxy-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 79
References: 138
Patents: 277.2042 Da
Monoisotopic Mass: 4.1
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]+	278.21148	168.9
[M+Na]+	300.19342	175.0
[M-H]-	276.19692	174.2
[M+NH4]+	295.23802	188.8
[M+K]+	316.16736	173.1
[M+H-H2O]+	260.20146	162.1
[M+HCOO]-	322.20240	191.8
[M+CH3COO]-	336.21805	208.9
[M+Na-2H]-	298.17887	170.0
[M]+	277.20365	174.2
[M]-	277.20475	174.2

Literature stripe

literature stripe

Patent stripe

patents stripe