CID 216691

37613-69-7

Structural Information

Molecular Formula

C₁₁H₂₁N

SMILES

CC1=C(CCC1(C)C)CCNC

InChI

InChI=1S/C11H21N/c1-9-10(6-8-12-4)5-7-11(9,2)3/h12H,5-8H2,1-4H3

InChIKey

DPCZEHLJRQSBTQ-UHFFFAOYSA-N

Compound name

N-methyl-2-(2,3,3-trimethylcyclopenten-1-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 167.1674 Da
Monoisotopic Mass: 2.1
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]+	168.17468	139.6
[M+Na]+	190.15662	149.9
[M+NH4]+	185.20122	150.1
[M+K]+	206.13056	142.9
[M-H]-	166.16012	142.2
[M+Na-2H]-	188.14207	145.9
[M]+	167.16685	141.9
[M]-	167.16795	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.