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: 3253
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]+	184.20598	144.7
[M+Na]+	206.18792	145.6
[M-H]-	182.19142	143.9
[M+NH4]+	201.23252	160.7
[M+K]+	222.16186	144.8
[M+H-H2O]+	166.19596	141.5
[M+HCOO]-	228.19690	161.5
[M+CH3COO]-	242.21255	177.9
[M+Na-2H]-	204.17337	146.0
[M]+	183.19815	131.3
[M]-	183.19925	131.3

Literature stripe

literature stripe

Patent stripe

patents stripe