CID 14222

Triisobutylamine

Structural Information

Molecular Formula

C₁₂H₂₇N

SMILES

CC(C)CN(CC(C)C)CC(C)C

InChI

InChI=1S/C12H27N/c1-10(2)7-13(8-11(3)4)9-12(5)6/h10-12H,7-9H2,1-6H3

InChIKey

IIFFFBSAXDNJHX-UHFFFAOYSA-N

Compound name

2-methyl-N,N-bis(2-methylpropyl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 12185
Patents: 185.21436 Da
Monoisotopic Mass: 4.3
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	149.8
[M+Na]+	208.20358	158.1
[M+NH4]+	203.24818	157.6
[M+K]+	224.17752	153.0
[M-H]-	184.20708	150.2
[M+Na-2H]-	206.18903	152.2
[M]+	185.21381	150.9
[M]-	185.21491	150.9

Literature stripe

literature stripe

Patent stripe

patents stripe