CID 131575

136468-19-4

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

CC1=CC2=C(CC(C2)N)C=C1OC

InChI

InChI=1S/C11H15NO/c1-7-3-8-4-10(12)5-9(8)6-11(7)13-2/h3,6,10H,4-5,12H2,1-2H3

InChIKey

JLESVLCTIOAHPT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 15
References: 659
Patents: 177.11537 Da
Monoisotopic Mass: 1.7
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]+	178.122646	137.7
[M+Na]+	200.104588	146.5
[M-H]-	176.108094	142.3
[M+NH4]+	195.149193	160.9
[M+K]+	216.078528	143.8
[M+H-H2O]+	160.112630	132.5
[M+HCOO]-	222.113571	161.4
[M+CH3COO]-	236.129221	184.7
[M+Na-2H]-	198.090036	141.9
[M]+	177.11482142	137.3
[M]-	177.11591858	137.3

Literature stripe

literature stripe

Patent stripe

patents stripe