CID 44807

N,n-dipropyl-4-heptylamine hydrochloride

Structural Information

Molecular Formula

C₁₃H₂₉N

SMILES

CCCC(CCC)N(CCC)CCC

InChI

InChI=1S/C13H29N/c1-5-9-13(10-6-2)14(11-7-3)12-8-4/h13H,5-12H2,1-4H3

InChIKey

KGWZEYDYLIDHEW-UHFFFAOYSA-N

Compound name

N,N-dipropylheptan-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 199.23 Da
Monoisotopic Mass: 4.6
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]+	200.23728	156.0
[M+Na]+	222.21922	159.4
[M-H]-	198.22272	156.5
[M+NH4]+	217.26382	175.9
[M+K]+	238.19316	159.2
[M+H-H2O]+	182.22726	149.8
[M+HCOO]-	244.22820	178.0
[M+CH3COO]-	258.24385	197.7
[M+Na-2H]-	220.20467	157.4
[M]+	199.22945	159.7
[M]-	199.23055	159.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe