CID 10797090

41568-27-8

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

CC1CC2=C(N1)C=CC(=C2)OC

InChI

InChI=1S/C10H13NO/c1-7-5-8-6-9(12-2)3-4-10(8)11-7/h3-4,6-7,11H,5H2,1-2H3

InChIKey

MKZAAOOSZBRZEP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 163.09972 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]+	164.10700	134.2
[M+Na]+	186.08894	143.1
[M-H]-	162.09244	136.3
[M+NH4]+	181.13354	156.3
[M+K]+	202.06288	140.0
[M+H-H2O]+	146.09698	128.6
[M+HCOO]-	208.09792	155.1
[M+CH3COO]-	222.11357	176.3
[M+Na-2H]-	184.07439	139.7
[M]+	163.09917	133.5
[M]-	163.10027	133.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe