CID 199973

D-3-7

Structural Information

Molecular Formula

C₁₃H₂₇N

SMILES

CCCNC(C)(C)CC1CCCCC1

InChI

InChI=1S/C13H27N/c1-4-10-14-13(2,3)11-12-8-6-5-7-9-12/h12,14H,4-11H2,1-3H3

InChIKey

NWJNQSZEYOLOLA-UHFFFAOYSA-N

Compound name

1-cyclohexyl-2-methyl-N-propylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 197.21436 Da
Monoisotopic Mass: 4.4
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]+	198.221636	151.5
[M+Na]+	220.203578	153.6
[M-H]-	196.207084	153.4
[M+NH4]+	215.248183	170.4
[M+K]+	236.177518	151.8
[M+H-H2O]+	180.211620	145.5
[M+HCOO]-	242.212561	169.7
[M+CH3COO]-	256.228211	189.8
[M+Na-2H]-	218.189026	155.4
[M]+	197.21381142	147.3
[M]-	197.21490858	147.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe