CID 41502

55654-84-7

Structural Information

Molecular Formula

C₁₂H₁₆N₂O

SMILES

CNCC(C1=CN(C2=CC=CC=C21)C)O

InChI

InChI=1S/C12H16N2O/c1-13-7-12(15)10-8-14(2)11-6-4-3-5-9(10)11/h3-6,8,12-13,15H,7H2,1-2H3

InChIKey

XJRPLWKYLPMRIN-UHFFFAOYSA-N

Compound name

2-(methylamino)-1-(1-methylindol-3-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 204.12627 Da
Monoisotopic Mass: 0.7
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]+	205.133546	144.9
[M+Na]+	227.115488	153.6
[M-H]-	203.118994	147.4
[M+NH4]+	222.160093	165.0
[M+K]+	243.089428	150.1
[M+H-H2O]+	187.123530	138.5
[M+HCOO]-	249.124471	168.0
[M+CH3COO]-	263.140121	187.5
[M+Na-2H]-	225.100936	150.5
[M]+	204.12572142	146.4
[M]-	204.12681858	146.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe