CID 29637

Brn 2097588

Structural Information

Molecular Formula

C₁₂H₁₇N

SMILES

CCNC1CCCC2=CC=CC=C12

InChI

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

InChIKey

YCQQIGNKPQHCNT-UHFFFAOYSA-N

Compound name

N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 34
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]+	176.14338	137.7
[M+Na]+	198.12532	143.3
[M-H]-	174.12882	141.5
[M+NH4]+	193.16992	158.8
[M+K]+	214.09926	140.2
[M+H-H2O]+	158.13336	131.5
[M+HCOO]-	220.13430	159.4
[M+CH3COO]-	234.14995	184.4
[M+Na-2H]-	196.11077	145.3
[M]+	175.13555	134.2
[M]-	175.13665	134.2

Literature stripe

literature stripe

Patent stripe

patents stripe