CID 10415

503-00-4

Structural Information

Molecular Formula

C₉H₂₁N

SMILES

CC(C)CCCC(C)NC

InChI

InChI=1S/C9H21N/c1-8(2)6-5-7-9(3)10-4/h8-10H,5-7H2,1-4H3

InChIKey

KYMRGVJAIFPUPQ-UHFFFAOYSA-N

Compound name

N,6-dimethylheptan-2-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 14
Patents: 143.1674 Da
Monoisotopic Mass: 2.8
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	138.0
[M+Na]+	166.156618	142.7
[M-H]-	142.160124	137.9
[M+NH4]+	161.201223	159.4
[M+K]+	182.130558	142.6
[M+H-H2O]+	126.164660	132.9
[M+HCOO]-	188.165601	159.8
[M+CH3COO]-	202.181251	182.8
[M+Na-2H]-	164.142066	141.1
[M]+	143.16685142	138.3
[M]-	143.16794858	138.3

Literature stripe

literature stripe

Patent stripe

patents stripe