CID 150376

94071-15-5

Structural Information

Molecular Formula

C₁₄H₁₈N₂O

SMILES

C1CNC(C2=C1C3=CC=CC=C3N2)CCCO

InChI

InChI=1S/C14H18N2O/c17-9-3-6-13-14-11(7-8-15-13)10-4-1-2-5-12(10)16-14/h1-2,4-5,13,15-17H,3,6-9H2

InChIKey

XQJOQBSYNVJACP-UHFFFAOYSA-N

Compound name

3-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 230.1419 Da
Monoisotopic Mass: 1.6
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]+	231.149176	152.3
[M+Na]+	253.131118	159.9
[M-H]-	229.134624	150.8
[M+NH4]+	248.175723	169.7
[M+K]+	269.105058	153.1
[M+H-H2O]+	213.139160	145.4
[M+HCOO]-	275.140101	167.3
[M+CH3COO]-	289.155751	162.6
[M+Na-2H]-	251.116566	157.6
[M]+	230.14135142	148.7
[M]-	230.14244858	148.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.