CID 10856582

3409-21-0

Structural Information

Molecular Formula

C₁₃H₁₇NO

SMILES

CN(C)CCC1CC2=CC=CC=C2C1=O

InChI

InChI=1S/C13H17NO/c1-14(2)8-7-11-9-10-5-3-4-6-12(10)13(11)15/h3-6,11H,7-9H2,1-2H3

InChIKey

XJKFCKOAHVBKLL-UHFFFAOYSA-N

Compound name

2-[2-(dimethylamino)ethyl]-2,3-dihydroinden-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 203.13101 Da
Monoisotopic Mass: 2.1
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]+	204.13829	146.1
[M+Na]+	226.12023	157.5
[M+NH4]+	221.16483	155.5
[M+K]+	242.09417	152.2
[M-H]-	202.12373	149.3
[M+Na-2H]-	224.10568	151.5
[M]+	203.13046	148.5
[M]-	203.13156	148.5

Literature stripe

literature stripe

Patent stripe

patents stripe