CID 21534647

1368795-72-5

Structural Information

Molecular Formula

C₁₃H₁₉N

SMILES

CC1=CC=C(C=C1)C2CCC(CC2)N

InChI

InChI=1S/C13H19N/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12/h2-5,12-13H,6-9,14H2,1H3

InChIKey

RYQPVSXRIFAFNB-UHFFFAOYSA-N

Compound name

4-(4-methylphenyl)cyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 189.15175 Da
Monoisotopic Mass: 2.7
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]+	190.15903	143.7
[M+Na]+	212.14097	148.8
[M-H]-	188.14447	149.3
[M+NH4]+	207.18557	162.8
[M+K]+	228.11491	145.3
[M+H-H2O]+	172.14901	136.9
[M+HCOO]-	234.14995	164.6
[M+CH3COO]-	248.16560	186.4
[M+Na-2H]-	210.12642	147.3
[M]+	189.15120	137.2
[M]-	189.15230	137.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe