CID 109196

2-methylundecan-2-amine

Structural Information

Molecular Formula

C₁₂H₂₇N

SMILES

CCCCCCCCCC(C)(C)N

InChI

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

InChIKey

WXBXQUFGRJEKPL-UHFFFAOYSA-N

Compound name

2-methylundecan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1676
Patents: 185.21436 Da
Monoisotopic Mass: 4.4
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	148.9
[M+Na]+	208.20358	157.4
[M+NH4]+	203.24818	156.5
[M+K]+	224.17752	150.9
[M-H]-	184.20708	148.8
[M+Na-2H]-	206.18903	151.7
[M]+	185.21381	150.0
[M]-	185.21491	150.0

Literature stripe

literature stripe

Patent stripe

patents stripe