CID 81729

7300-34-7

Structural Information

Molecular Formula

C₁₀H₂₄N₂O₂

SMILES

C(CCOCCCN)COCCCN

InChI

InChI=1S/C10H24N2O2/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h1-12H2

InChIKey

YOOSAIJKYCBPFW-UHFFFAOYSA-N

Compound name

3-[4-(3-aminopropoxy)butoxy]propan-1-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 6
References: 7096
Patents: 204.18378 Da
Monoisotopic Mass: -0.5
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]+	205.19106	150.0
[M+Na]+	227.17300	153.7
[M-H]-	203.17650	148.2
[M+NH4]+	222.21760	167.9
[M+K]+	243.14694	152.5
[M+H-H2O]+	187.18104	143.4
[M+HCOO]-	249.18198	173.7
[M+CH3COO]-	263.19763	191.7
[M+Na-2H]-	225.15845	153.3
[M]+	204.18323	152.0
[M]-	204.18433	152.0

Literature stripe

literature stripe

Patent stripe

patents stripe