CID 3051307

67367-96-8

Structural Information

Molecular Formula

C₁₇H₂₅NO

SMILES

CC(C)NCC(C1=C2CCCC2=CC3=C1CCC3)O

InChI

InChI=1S/C17H25NO/c1-11(2)18-10-16(19)17-14-7-3-5-12(14)9-13-6-4-8-15(13)17/h9,11,16,18-19H,3-8,10H2,1-2H3

InChIKey

MEISUXHQTBUTDF-UHFFFAOYSA-N

Compound name

1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(propan-2-ylamino)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 259.1936 Da
Monoisotopic Mass: 3.1
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]+	260.200876	165.5
[M+Na]+	282.182818	169.8
[M-H]-	258.186324	168.8
[M+NH4]+	277.227423	186.9
[M+K]+	298.156758	165.7
[M+H-H2O]+	242.190860	160.1
[M+HCOO]-	304.191801	183.3
[M+CH3COO]-	318.207451	199.6
[M+Na-2H]-	280.168266	164.6
[M]+	259.19305142	162.7
[M]-	259.19414858	162.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.