CID 10896

Methylaminoheptane

Structural Information

Molecular Formula

C₈H₁₉N

SMILES

CCCCCC(C)NC

InChI

InChI=1S/C8H19N/c1-4-5-6-7-8(2)9-3/h8-9H,4-7H2,1-3H3

InChIKey

BGWFQRDYRSCOCO-UHFFFAOYSA-N

Compound name

N-methylheptan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 333
Patents: 129.15175 Da
Monoisotopic Mass: 2.6
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	132.8
[M+Na]+	152.140968	138.1
[M-H]-	128.144474	132.8
[M+NH4]+	147.185573	154.9
[M+K]+	168.114908	137.9
[M+H-H2O]+	112.149010	127.9
[M+HCOO]-	174.149951	156.0
[M+CH3COO]-	188.165601	179.0
[M+Na-2H]-	150.126416	137.8
[M]+	129.15120142	133.4
[M]-	129.15229858	133.4

Literature stripe

literature stripe

Patent stripe

patents stripe