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	141.9
[M+Na]+	213.09983	152.4
[M+NH4]+	208.14443	152.3
[M+K]+	229.07377	148.2
[M-H]-	189.10333	142.3
[M+Na-2H]-	211.08528	146.0
[M]+	190.11006	143.4
[M]-	190.11116	143.4

Literature stripe

literature stripe

Patent stripe

patents stripe