CID 519799

N,n-dipropylethylamine

Structural Information

Molecular Formula

C₈H₁₉N

SMILES

CCCN(CC)CCC

InChI

InChI=1S/C8H19N/c1-4-7-9(6-3)8-5-2/h4-8H2,1-3H3

InChIKey

XWCCTMBMQUCLSI-UHFFFAOYSA-N

Compound name

N-ethyl-N-propylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5248
Patents: 129.15175 Da
Monoisotopic Mass: 2.7
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	132.1
[M+Na]+	152.14097	137.8
[M-H]-	128.14447	133.5
[M+NH4]+	147.18557	154.8
[M+K]+	168.11491	138.5
[M+H-H2O]+	112.14901	126.9
[M+HCOO]-	174.14995	156.7
[M+CH3COO]-	188.16560	181.8
[M+Na-2H]-	150.12642	137.6
[M]+	129.15120	134.6
[M]-	129.15230	134.6

Literature stripe

literature stripe

Patent stripe

patents stripe