CID 73124019

Alline

Structural Information

Molecular Formula

C₁₁H₁₄N₂O

SMILES

CN1CCC2(C1NC3=CC=CC=C32)O

InChI

InChI=1S/C11H14N2O/c1-13-7-6-11(14)8-4-2-3-5-9(8)12-10(11)13/h2-5,10,12,14H,6-7H2,1H3

InChIKey

CBQYNPHHHJTCJS-UHFFFAOYSA-N

Compound name

3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 793
Patents: 190.11061 Da
Monoisotopic Mass: 1.0
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]+	191.11789	142.7
[M+Na]+	213.09983	152.0
[M-H]-	189.10333	143.3
[M+NH4]+	208.14443	166.2
[M+K]+	229.07377	147.4
[M+H-H2O]+	173.10787	137.0
[M+HCOO]-	235.10881	159.7
[M+CH3COO]-	249.12446	155.0
[M+Na-2H]-	211.08528	147.1
[M]+	190.11006	139.6
[M]-	190.11116	139.6

Literature stripe

literature stripe

Patent stripe

patents stripe