CID 46457

64037-84-9

Structural Information

Molecular Formula

C₁₂H₁₇N

SMILES

CN(C)C1CCCC2=CC=CC=C12

InChI

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

InChIKey

IQLPAPPRUSTIEX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
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	138.0
[M+Na]+	198.125318	143.7
[M-H]-	174.128824	143.3
[M+NH4]+	193.169923	159.6
[M+K]+	214.099258	142.0
[M+H-H2O]+	158.133360	131.6
[M+HCOO]-	220.134301	160.1
[M+CH3COO]-	234.149951	187.9
[M+Na-2H]-	196.110766	144.8
[M]+	175.13555142	135.7
[M]-	175.13664858	135.7

Literature stripe

literature stripe

Patent stripe

patents stripe