CID 22484483

381665-67-4

Structural Information

Molecular Formula

C₉H₁₉N

SMILES

CC1(CCCCC1CN)C

InChI

InChI=1S/C9H19N/c1-9(2)6-4-3-5-8(9)7-10/h8H,3-7,10H2,1-2H3

InChIKey

YMFOFTIBSUHGNX-UHFFFAOYSA-N

Compound name

(2,2-dimethylcyclohexyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 141.15175 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]+	142.159026	133.0
[M+Na]+	164.140968	138.3
[M-H]-	140.144474	135.7
[M+NH4]+	159.185573	156.2
[M+K]+	180.114908	137.0
[M+H-H2O]+	124.149010	128.4
[M+HCOO]-	186.149951	153.6
[M+CH3COO]-	200.165601	177.2
[M+Na-2H]-	162.126416	137.9
[M]+	141.15120142	127.5
[M]-	141.15229858	127.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe