CID 96012

1,1',3,3'-tetramethyldibutylamine

Structural Information

Molecular Formula

C₁₂H₂₇N

SMILES

CC(C)CC(C)NC(C)CC(C)C

InChI

InChI=1S/C12H27N/c1-9(2)7-11(5)13-12(6)8-10(3)4/h9-13H,7-8H2,1-6H3

InChIKey

WNOMKCAADBZQOV-UHFFFAOYSA-N

Compound name

4-methyl-N-(4-methylpentan-2-yl)pentan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 137
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]+	186.22164	152.4
[M+Na]+	208.20358	155.4
[M-H]-	184.20708	151.9
[M+NH4]+	203.24818	172.0
[M+K]+	224.17752	155.5
[M+H-H2O]+	168.21162	146.9
[M+HCOO]-	230.21256	171.2
[M+CH3COO]-	244.22821	193.7
[M+Na-2H]-	206.18903	151.3
[M]+	185.21381	152.5
[M]-	185.21491	152.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe