CID 23008936

3,3-dimethyl-2,3-dihydro-1h-inden-1-amine

Structural Information

Molecular Formula

C₁₁H₁₅N

SMILES

CC1(CC(C2=CC=CC=C21)N)C

InChI

InChI=1S/C11H15N/c1-11(2)7-10(12)8-5-3-4-6-9(8)11/h3-6,10H,7,12H2,1-2H3

InChIKey

FVTHKMZSEWUHSO-UHFFFAOYSA-N

Compound name

3,3-dimethyl-1,2-dihydroinden-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 127
Patents: 161.12045 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]+	162.127726	134.2
[M+Na]+	184.109668	143.3
[M-H]-	160.113174	138.9
[M+NH4]+	179.154273	159.9
[M+K]+	200.083608	140.0
[M+H-H2O]+	144.117710	129.6
[M+HCOO]-	206.118651	157.8
[M+CH3COO]-	220.134301	181.0
[M+Na-2H]-	182.095116	140.2
[M]+	161.11990142	132.3
[M]-	161.12099858	132.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe