CID 17221237

74220-93-2

Structural Information

Molecular Formula

C₁₂H₁₇N

SMILES

CCCNC1CC2=CC=CC=C2C1

InChI

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

InChIKey

OYJSAKGCKMRLQO-UHFFFAOYSA-N

Compound name

N-propyl-2,3-dihydro-1H-inden-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 91
Patents: 175.1361 Da
Monoisotopic Mass: 2.7
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]+	176.143376	138.9
[M+Na]+	198.125318	145.5
[M-H]-	174.128824	143.1
[M+NH4]+	193.169923	161.9
[M+K]+	214.099258	142.3
[M+H-H2O]+	158.133360	133.1
[M+HCOO]-	220.134301	162.8
[M+CH3COO]-	234.149951	184.1
[M+Na-2H]-	196.110766	144.9
[M]+	175.13555142	137.6
[M]-	175.13664858	137.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe