CID 55830

1-methylindoline

Structural Information

Molecular Formula

C₉H₁₁N

SMILES

CN1CCC2=CC=CC=C21

InChI

InChI=1S/C9H11N/c1-10-7-6-8-4-2-3-5-9(8)10/h2-5H,6-7H2,1H3

InChIKey

FIRXFHJQGIIJDB-UHFFFAOYSA-N

Compound name

1-methyl-2,3-dihydroindole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 2662
Patents: 133.08914 Da
Monoisotopic Mass: 2.1
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]+	134.096416	125.9
[M+Na]+	156.078358	134.7
[M-H]-	132.081864	129.2
[M+NH4]+	151.122963	149.6
[M+K]+	172.052298	132.3
[M+H-H2O]+	116.086400	120.0
[M+HCOO]-	178.087341	148.5
[M+CH3COO]-	192.102991	140.4
[M+Na-2H]-	154.063806	133.0
[M]+	133.08859142	124.8
[M]-	133.08968858	124.8

Literature stripe

literature stripe

Patent stripe

patents stripe