CID 103410

65530-92-9

Structural Information

Molecular Formula

C₉H₂₁N

SMILES

CC(C)CC(CC(C)C)N

InChI

InChI=1S/C9H21N/c1-7(2)5-9(10)6-8(3)4/h7-9H,5-6,10H2,1-4H3

InChIKey

MBQBDXBBWYTVSP-UHFFFAOYSA-N

Compound name

2,6-dimethylheptan-4-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 188
Patents: 143.1674 Da
Monoisotopic Mass: 2.7
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]+	144.174676	138.9
[M+Na]+	166.156618	143.3
[M-H]-	142.160124	138.3
[M+NH4]+	161.201223	159.9
[M+K]+	182.130558	143.3
[M+H-H2O]+	126.164660	133.9
[M+HCOO]-	188.165601	159.0
[M+CH3COO]-	202.181251	183.0
[M+Na-2H]-	164.142066	139.6
[M]+	143.16685142	137.4
[M]-	143.16794858	137.4

Literature stripe

literature stripe

Patent stripe

patents stripe