CID 421053

52430-81-6

Structural Information

Molecular Formula

C₉H₁₉N

SMILES

CC(C)C1CCC(CC1)N

InChI

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

InChIKey

MFRKYEJMLQUSJX-UHFFFAOYSA-N

Compound name

4-propan-2-ylcyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 549
Patents: 141.15175 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]+	142.159026	134.3
[M+Na]+	164.140968	138.4
[M-H]-	140.144474	136.6
[M+NH4]+	159.185573	155.4
[M+K]+	180.114908	137.3
[M+H-H2O]+	124.149010	128.9
[M+HCOO]-	186.149951	153.8
[M+CH3COO]-	200.165601	178.5
[M+Na-2H]-	162.126416	136.7
[M]+	141.15120142	127.8
[M]-	141.15229858	127.8

Literature stripe

literature stripe

Patent stripe

patents stripe