CID 4722616

(furan-2-ylmethyl)(hexyl)amine

Structural Information

Molecular Formula

C₁₁H₁₉NO

SMILES

CCCCCCNCC1=CC=CO1

InChI

InChI=1S/C11H19NO/c1-2-3-4-5-8-12-10-11-7-6-9-13-11/h6-7,9,12H,2-5,8,10H2,1H3

InChIKey

VCBILSHADLJGHC-UHFFFAOYSA-N

Compound name

N-(furan-2-ylmethyl)hexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 181.14667 Da
Monoisotopic Mass: 2.7
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]+	182.153946	143.2
[M+Na]+	204.135888	148.7
[M-H]-	180.139394	146.6
[M+NH4]+	199.180493	163.3
[M+K]+	220.109828	147.9
[M+H-H2O]+	164.143930	136.9
[M+HCOO]-	226.144871	168.0
[M+CH3COO]-	240.160521	184.3
[M+Na-2H]-	202.121336	149.2
[M]+	181.14612142	145.7
[M]-	181.14721858	145.7

Literature stripe

literature stripe

Patent stripe

patents stripe