CID 7129103

1461689-29-1

Structural Information

Molecular Formula

C₁₂H₁₇N

SMILES

C[C@@H](C1=CC2=C(CCCC2)C=C1)N

InChI

InChI=1S/C12H17N/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h6-9H,2-5,13H2,1H3/t9-/m0/s1

InChIKey

YJZYMMDEDLLIIP-VIFPVBQESA-N

Compound name

(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 175.1361 Da
Monoisotopic Mass: 2.6
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	139.0
[M+Na]+	198.12532	144.4
[M-H]-	174.12882	142.4
[M+NH4]+	193.16992	159.7
[M+K]+	214.09926	141.4
[M+H-H2O]+	158.13336	133.0
[M+HCOO]-	220.13430	159.0
[M+CH3COO]-	234.14995	184.6
[M+Na-2H]-	196.11077	144.3
[M]+	175.13555	133.9
[M]-	175.13665	133.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe