CID 10982

Octodrine

Structural Information

Molecular Formula

C₈H₁₉N

SMILES

CC(C)CCCC(C)N

InChI

InChI=1S/C8H19N/c1-7(2)5-4-6-8(3)9/h7-8H,4-6,9H2,1-3H3

InChIKey

QNIVIMYXGGFTAK-UHFFFAOYSA-N

Compound name

6-methylheptan-2-amine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 15
References: 3000
Patents: 129.15175 Da
Monoisotopic Mass: 2.3
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]+	130.159026	133.9
[M+Na]+	152.140968	139.0
[M-H]-	128.144474	133.4
[M+NH4]+	147.185573	155.6
[M+K]+	168.114908	138.8
[M+H-H2O]+	112.149010	129.0
[M+HCOO]-	174.149951	155.4
[M+CH3COO]-	188.165601	179.1
[M+Na-2H]-	150.126416	136.4
[M]+	129.15120142	132.7
[M]-	129.15229858	132.7

Literature stripe

literature stripe

Patent stripe

patents stripe