CID 192600

5-(2-aminopropyl)-2,3-dihydro-1h-indene

Structural Information

Molecular Formula

C₁₂H₁₇N

SMILES

CC(CC1=CC2=C(CCC2)C=C1)N

InChI

InChI=1S/C12H17N/c1-9(13)7-10-5-6-11-3-2-4-12(11)8-10/h5-6,8-9H,2-4,7,13H2,1H3

InChIKey

QYVNZHBQYJRLEX-UHFFFAOYSA-N

Compound name

1-(2,3-dihydro-1H-inden-5-yl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 56
Patents: 175.1361 Da
Monoisotopic Mass: 2.5
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]+	176.143376	140.4
[M+Na]+	198.125318	146.7
[M-H]-	174.128824	144.1
[M+NH4]+	193.169923	163.0
[M+K]+	214.099258	143.6
[M+H-H2O]+	158.133360	134.7
[M+HCOO]-	220.134301	162.6
[M+CH3COO]-	234.149951	184.2
[M+Na-2H]-	196.110766	144.1
[M]+	175.13555142	137.4
[M]-	175.13664858	137.4

Literature stripe

literature stripe

Patent stripe

patents stripe