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

3
Annotation Hits: 15
References: 3172
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]+	130.15903	133.9
[M+Na]+	152.14097	139.0
[M-H]-	128.14447	133.4
[M+NH4]+	147.18557	155.6
[M+K]+	168.11491	138.8
[M+H-H2O]+	112.14901	129.0
[M+HCOO]-	174.14995	155.4
[M+CH3COO]-	188.16560	179.1
[M+Na-2H]-	150.12642	136.4
[M]+	129.15120	132.7
[M]-	129.15230	132.7

Literature stripe

literature stripe

Patent stripe

patents stripe