CID 7622

Tributylamine

Structural Information

Molecular Formula

C₁₂H₂₇N

SMILES

CCCCN(CCCC)CCCC

InChI

InChI=1S/C12H27N/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4-12H2,1-3H3

InChIKey

IMFACGCPASFAPR-UHFFFAOYSA-N

Compound name

N,N-dibutylbutan-1-amine

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 113
References: 25550
Patents: 185.21436 Da
Monoisotopic Mass: 4.0
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]+	186.221636	150.7
[M+Na]+	208.203578	154.7
[M-H]-	184.207084	151.3
[M+NH4]+	203.248183	171.2
[M+K]+	224.177518	154.3
[M+H-H2O]+	168.211620	144.7
[M+HCOO]-	230.212561	174.0
[M+CH3COO]-	244.228211	193.9
[M+Na-2H]-	206.189026	154.0
[M]+	185.21381142	154.7
[M]-	185.21490858	154.7

Literature stripe

literature stripe

Patent stripe

patents stripe