CID 2897

Cyclododecylamine

Structural Information

Molecular Formula

C₁₂H₂₅N

SMILES

C1CCCCCC(CCCCC1)N

InChI

InChI=1S/C12H25N/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h12H,1-11,13H2

InChIKey

HBGGBCVEFUPUNY-UHFFFAOYSA-N

Compound name

cyclododecanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 3247
Patents: 183.1987 Da
Monoisotopic Mass: 3.5
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]+	184.205976	144.7
[M+Na]+	206.187918	145.6
[M-H]-	182.191424	143.9
[M+NH4]+	201.232523	160.7
[M+K]+	222.161858	144.8
[M+H-H2O]+	166.195960	141.5
[M+HCOO]-	228.196901	161.5
[M+CH3COO]-	242.212551	177.9
[M+Na-2H]-	204.173366	146.0
[M]+	183.19815142	131.3
[M]-	183.19924858	131.3

Literature stripe

literature stripe

Patent stripe

patents stripe