CID 89497

2-(isopropyl)-5-methylcyclohexylamine

Structural Information

Molecular Formula

C₁₀H₂₁N

SMILES

CC1CCC(C(C1)N)C(C)C

InChI

InChI=1S/C10H21N/c1-7(2)9-5-4-8(3)6-10(9)11/h7-10H,4-6,11H2,1-3H3

InChIKey

RBMUAGDCCJDQLE-UHFFFAOYSA-N

Compound name

5-methyl-2-propan-2-ylcyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 533
Patents: 155.1674 Da
Monoisotopic Mass: 2.8
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]+	156.17468	138.4
[M+Na]+	178.15662	143.0
[M-H]-	154.16012	140.9
[M+NH4]+	173.20122	159.2
[M+K]+	194.13056	141.7
[M+H-H2O]+	138.16466	133.0
[M+HCOO]-	200.16560	157.6
[M+CH3COO]-	214.18125	182.7
[M+Na-2H]-	176.14207	139.6
[M]+	155.16685	132.6
[M]-	155.16795	132.6

Literature stripe

literature stripe

Patent stripe

patents stripe