CID 47386

N,4-dipropyl-4-heptanamine hydrochloride

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: 2
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]+	200.23728	155.0
[M+Na]+	222.21922	159.0
[M-H]-	198.22272	154.3
[M+NH4]+	217.26382	174.5
[M+K]+	238.19316	157.3
[M+H-H2O]+	182.22726	149.7
[M+HCOO]-	244.22820	176.0
[M+CH3COO]-	258.24385	193.7
[M+Na-2H]-	220.20467	159.2
[M]+	199.22945	157.7
[M]-	199.23055	157.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe