CID 130944112

Methyl[(2,6,6-trimethylcyclohex-1-en-1-yl)methyl]amine

Structural Information

Molecular Formula

C₁₁H₂₁N

SMILES

CC1=C(C(CCC1)(C)C)CNC

InChI

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

InChIKey

ARBUSSORDZGEPY-UHFFFAOYSA-N

Compound name

N-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 167.1674 Da
Monoisotopic Mass: 2.2
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]+	168.174676	138.4
[M+Na]+	190.156618	144.9
[M-H]-	166.160124	142.0
[M+NH4]+	185.201223	161.3
[M+K]+	206.130558	143.3
[M+H-H2O]+	150.164660	133.7
[M+HCOO]-	212.165601	160.5
[M+CH3COO]-	226.181251	184.8
[M+Na-2H]-	188.142066	143.7
[M]+	167.16685142	136.5
[M]-	167.16794858	136.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.