CID 54776100

1803606-99-6

Structural Information

Molecular Formula

C₁₂H₁₇N

SMILES

CC(C)C1=CC2=C(CCC2N)C=C1

InChI

InChI=1S/C12H17N/c1-8(2)10-4-3-9-5-6-12(13)11(9)7-10/h3-4,7-8,12H,5-6,13H2,1-2H3

InChIKey

RMJKUZYESJIKTQ-UHFFFAOYSA-N

Compound name

6-propan-2-yl-2,3-dihydro-1H-inden-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 175.1361 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]+	176.14338	140.1
[M+Na]+	198.12532	147.4
[M-H]-	174.12882	144.2
[M+NH4]+	193.16992	163.1
[M+K]+	214.09926	144.3
[M+H-H2O]+	158.13336	134.8
[M+HCOO]-	220.13430	162.3
[M+CH3COO]-	234.14995	185.4
[M+Na-2H]-	196.11077	143.1
[M]+	175.13555	137.6
[M]-	175.13665	137.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe