CID 67819630

2309474-60-8

Structural Information

Molecular Formula

C₉H₁₉N

SMILES

CC1CC(CCC1(C)C)N

InChI

InChI=1S/C9H19N/c1-7-6-8(10)4-5-9(7,2)3/h7-8H,4-6,10H2,1-3H3

InChIKey

IGBKZYUCPMYPJU-UHFFFAOYSA-N

Compound name

3,4,4-trimethylcyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 141.15175 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]+	142.159026	132.2
[M+Na]+	164.140968	138.5
[M-H]-	140.144474	135.3
[M+NH4]+	159.185573	155.7
[M+K]+	180.114908	137.2
[M+H-H2O]+	124.149010	127.9
[M+HCOO]-	186.149951	152.8
[M+CH3COO]-	200.165601	178.4
[M+Na-2H]-	162.126416	136.4
[M]+	141.15120142	127.0
[M]-	141.15229858	127.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe