CID 41703

56065-38-4

Structural Information

Molecular Formula

C₁₃H₂₉N

SMILES

CCCCC(CCCC)(CCCC)N

InChI

InChI=1S/C13H29N/c1-4-7-10-13(14,11-8-5-2)12-9-6-3/h4-12,14H2,1-3H3

InChIKey

OBAIHIAMAJBZHZ-UHFFFAOYSA-N

Compound name

5-butylnonan-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1515
Patents: 199.23 Da
Monoisotopic Mass: 4.5
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]+	200.237276	155.4
[M+Na]+	222.219218	159.4
[M-H]-	198.222724	154.2
[M+NH4]+	217.263823	174.6
[M+K]+	238.193158	157.3
[M+H-H2O]+	182.227260	150.1
[M+HCOO]-	244.228201	175.7
[M+CH3COO]-	258.243851	193.0
[M+Na-2H]-	220.204666	158.5
[M]+	199.22945142	157.1
[M]-	199.23054858	157.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe