CID 221997

2-cyclohexylcyclohexan-1-amine

Structural Information

Molecular Formula

C₁₂H₂₃N

SMILES

C1CCC(CC1)C2CCCCC2N

InChI

InChI=1S/C12H23N/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h10-12H,1-9,13H2

InChIKey

KEHCTKVZDAEDPP-UHFFFAOYSA-N

Compound name

2-cyclohexylcyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 67
Patents: 181.18304 Da
Monoisotopic Mass: 3.7
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]+	182.19032	144.7
[M+Na]+	204.17226	146.0
[M-H]-	180.17576	148.9
[M+NH4]+	199.21686	163.5
[M+K]+	220.14620	143.5
[M+H-H2O]+	164.18030	137.8
[M+HCOO]-	226.18124	161.4
[M+CH3COO]-	240.19689	183.5
[M+Na-2H]-	202.15771	146.3
[M]+	181.18249	133.1
[M]-	181.18359	133.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe