CID 47403

64502-34-7

Structural Information

Molecular Formula

C₁₃H₂₉N

SMILES

CCCC(CCC)(CCC)NC(C)C

InChI

InChI=1S/C13H29N/c1-6-9-13(10-7-2,11-8-3)14-12(4)5/h12,14H,6-11H2,1-5H3

InChIKey

HFOVYKMFOFLDLN-UHFFFAOYSA-N

Compound name

N-propan-2-yl-4-propylheptan-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 199.23 Da
Monoisotopic Mass: 4.2
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	155.3
[M+Na]+	222.219218	159.1
[M-H]-	198.222724	154.7
[M+NH4]+	217.263823	174.8
[M+K]+	238.193158	157.9
[M+H-H2O]+	182.227260	150.1
[M+HCOO]-	244.228201	175.3
[M+CH3COO]-	258.243851	194.5
[M+Na-2H]-	220.204666	158.2
[M]+	199.22945142	157.4
[M]-	199.23054858	157.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe