CID 14023679

5-methylindoline

Structural Information

Molecular Formula

C₉H₁₁N

SMILES

CC1=CC2=C(C=C1)NCC2

InChI

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

InChIKey

JFUAVVHABJWSFX-UHFFFAOYSA-N

Compound name

5-methyl-2,3-dihydro-1H-indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 772
Patents: 133.08914 Da
Monoisotopic Mass: 2.3
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]+	134.09642	126.5
[M+Na]+	156.07836	134.9
[M-H]-	132.08186	128.4
[M+NH4]+	151.12296	149.5
[M+K]+	172.05230	131.6
[M+H-H2O]+	116.08640	120.9
[M+HCOO]-	178.08734	147.6
[M+CH3COO]-	192.10299	140.3
[M+Na-2H]-	154.06381	133.2
[M]+	133.08859	123.5
[M]-	133.08969	123.5

Literature stripe

literature stripe

Patent stripe

patents stripe