CID 61701171

2253639-53-9

Structural Information

Molecular Formula

C₁₂H₁₇N

SMILES

C1CC2=CC=CC=C2CC1CCN

InChI

InChI=1S/C12H17N/c13-8-7-10-5-6-11-3-1-2-4-12(11)9-10/h1-4,10H,5-9,13H2

InChIKey

LXOFPYYEFRMREV-UHFFFAOYSA-N

Compound name

2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 175.1361 Da
Monoisotopic Mass: 2.4
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	138.4
[M+Na]+	198.125318	144.0
[M-H]-	174.128824	141.7
[M+NH4]+	193.169923	159.1
[M+K]+	214.099258	140.5
[M+H-H2O]+	158.133360	132.2
[M+HCOO]-	220.134301	159.4
[M+CH3COO]-	234.149951	183.7
[M+Na-2H]-	196.110766	144.9
[M]+	175.13555142	133.9
[M]-	175.13664858	133.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe