CID 22742624

361389-84-6

Structural Information

Molecular Formula

C₁₀H₁₃N

SMILES

CC1=CC2=C(CCC2N)C=C1

InChI

InChI=1S/C10H13N/c1-7-2-3-8-4-5-10(11)9(8)6-7/h2-3,6,10H,4-5,11H2,1H3

InChIKey

FMQGLSSKBZCURE-UHFFFAOYSA-N

Compound name

6-methyl-2,3-dihydro-1H-inden-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 126
Patents: 147.1048 Da
Monoisotopic Mass: 1.6
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]+	148.112076	129.9
[M+Na]+	170.094018	138.4
[M-H]-	146.097524	134.3
[M+NH4]+	165.138623	154.1
[M+K]+	186.067958	135.3
[M+H-H2O]+	130.102060	124.9
[M+HCOO]-	192.103001	153.8
[M+CH3COO]-	206.118651	178.4
[M+Na-2H]-	168.079466	135.4
[M]+	147.10425142	127.3
[M]-	147.10534858	127.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe