CID 104016768

{4-[(6-amino-1h-indol-1-yl)methyl]phenyl}methanol hydrochloride

Structural Information

Molecular Formula

C₁₆H₁₆N₂O

SMILES

C1=CC(=CC2=C1C=CN2CC3=CC=C(C=C3)CO)N

InChI

InChI=1S/C16H16N2O/c17-15-6-5-14-7-8-18(16(14)9-15)10-12-1-3-13(11-19)4-2-12/h1-9,19H,10-11,17H2

InChIKey

ZWSQIIMNYXMDMB-UHFFFAOYSA-N

Compound name

[4-[(6-aminoindol-1-yl)methyl]phenyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 252.12627 Da
Monoisotopic Mass: 2.0
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]+	253.133546	156.5
[M+Na]+	275.115488	166.1
[M-H]-	251.118994	162.0
[M+NH4]+	270.160093	174.3
[M+K]+	291.089428	160.1
[M+H-H2O]+	235.123530	148.9
[M+HCOO]-	297.124471	180.1
[M+CH3COO]-	311.140121	169.1
[M+Na-2H]-	273.100936	161.9
[M]+	252.12572142	157.0
[M]-	252.12681858	157.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.