CID 3068090

Vufb-12268

Structural Information

Molecular Formula

C₁₇H₂₅N

SMILES

CC(C)(CC1=C2CCCC2=CC3=C1CCC3)NC

InChI

InChI=1S/C17H25N/c1-17(2,18-3)11-16-14-8-4-6-12(14)10-13-7-5-9-15(13)16/h10,18H,4-9,11H2,1-3H3

InChIKey

SHYMBVCIXLZRKP-UHFFFAOYSA-N

Compound name

1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N,2-dimethylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 243.1987 Da
Monoisotopic Mass: 4.0
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]+	244.205976	161.7
[M+Na]+	266.187918	167.6
[M-H]-	242.191424	166.5
[M+NH4]+	261.232523	184.8
[M+K]+	282.161858	163.3
[M+H-H2O]+	226.195960	156.6
[M+HCOO]-	288.196901	181.2
[M+CH3COO]-	302.212551	198.8
[M+Na-2H]-	264.173366	164.3
[M]+	243.19815142	160.2
[M]-	243.19924858	160.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.