CID 23518735

532407-05-9

Structural Information

Molecular Formula

C₁₁H₂₄N₂

SMILES

CC(C)NCCN1CCCCCC1

InChI

InChI=1S/C11H24N2/c1-11(2)12-7-10-13-8-5-3-4-6-9-13/h11-12H,3-10H2,1-2H3

InChIKey

RMZFCHGMKNLUEN-UHFFFAOYSA-N

Compound name

N-[2-(azepan-1-yl)ethyl]propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 184.19395 Da
Monoisotopic Mass: 1.8
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]+	185.20123	143.0
[M+Na]+	207.18317	150.0
[M+NH4]+	202.22777	150.3
[M+K]+	223.15711	145.6
[M-H]-	183.18667	144.5
[M+Na-2H]-	205.16862	147.4
[M]+	184.19340	144.2
[M]-	184.19450	144.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe