CID 10558918

5-(propan-2-yl)-1h-indole

Structural Information

Molecular Formula

C₁₁H₁₃N

SMILES

CC(C)C1=CC2=C(C=C1)NC=C2

InChI

InChI=1S/C11H13N/c1-8(2)9-3-4-11-10(7-9)5-6-12-11/h3-8,12H,1-2H3

InChIKey

LBVLQBYXKBTHJA-UHFFFAOYSA-N

Compound name

5-propan-2-yl-1H-indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 776
Patents: 159.1048 Da
Monoisotopic Mass: 3.4
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]+	160.112076	133.3
[M+Na]+	182.094018	142.7
[M-H]-	158.097524	135.8
[M+NH4]+	177.138623	155.5
[M+K]+	198.067958	138.9
[M+H-H2O]+	142.102060	127.6
[M+HCOO]-	204.103001	155.6
[M+CH3COO]-	218.118651	147.3
[M+Na-2H]-	180.079466	139.8
[M]+	159.10425142	133.4
[M]-	159.10534858	133.4

Literature stripe

literature stripe

Patent stripe

patents stripe