CID 44808

3-heptylmethylamine

Structural Information

Molecular Formula

C₈H₁₉N

SMILES

CCCCC(CC)NC

InChI

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

InChIKey

RQVCGLLQEIIZIL-UHFFFAOYSA-N

Compound name

N-methylheptan-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 65
Patents: 129.15175 Da
Monoisotopic Mass: 2.5
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	131.3
[M+Na]+	152.14097	140.9
[M+NH4]+	147.18557	139.8
[M+K]+	168.11491	134.6
[M-H]-	128.14447	132.0
[M+Na-2H]-	150.12642	135.3
[M]+	129.15120	132.6
[M]-	129.15230	132.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe