CID 47386

64467-50-1

Structural Information

Molecular Formula

C₁₃H₂₉N

SMILES

CCCC(CCC)(CCC)NCCC

InChI

InChI=1S/C13H29N/c1-5-9-13(10-6-2,11-7-3)14-12-8-4/h14H,5-12H2,1-4H3

InChIKey

UGHQYLQBDBBNGS-UHFFFAOYSA-N

Compound name

N,4-dipropylheptan-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 199.23 Da
Monoisotopic Mass: 4.3
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]+	200.237276	155.0
[M+Na]+	222.219218	159.0
[M-H]-	198.222724	154.3
[M+NH4]+	217.263823	174.5
[M+K]+	238.193158	157.3
[M+H-H2O]+	182.227260	149.7
[M+HCOO]-	244.228201	176.0
[M+CH3COO]-	258.243851	193.7
[M+Na-2H]-	220.204666	159.2
[M]+	199.22945142	157.7
[M]-	199.23054858	157.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe