CID 7582

Dicyclohexylamine

Structural Information

Molecular Formula

C₁₂H₂₃N

SMILES

C1CCC(CC1)NC2CCCCC2

InChI

InChI=1S/C12H23N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-13H,1-10H2

InChIKey

XBPCUCUWBYBCDP-UHFFFAOYSA-N

Compound name

N-cyclohexylcyclohexanamine

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 133
References: 25517
Patents: 181.18304 Da
Monoisotopic Mass: 3.4
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	144.1
[M+Na]+	204.17226	144.3
[M-H]-	180.17576	148.3
[M+NH4]+	199.21686	162.7
[M+K]+	220.14620	142.2
[M+H-H2O]+	164.18030	136.7
[M+HCOO]-	226.18124	161.4
[M+CH3COO]-	240.19689	183.1
[M+Na-2H]-	202.15771	147.4
[M]+	181.18249	133.0
[M]-	181.18359	133.0

Literature stripe

literature stripe

Patent stripe

patents stripe