CID 10558729

197086-51-4

Structural Information

Molecular Formula

C₈H₁₈N₂

SMILES

CN(C)[C@H]1CCCCNC1

InChI

InChI=1S/C8H18N2/c1-10(2)8-5-3-4-6-9-7-8/h8-9H,3-7H2,1-2H3/t8-/m0/s1

InChIKey

RRKCNYMLYVVFAP-QMMMGPOBSA-N

Compound name

(3S)-N,N-dimethylazepan-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 142.147 Da
Monoisotopic Mass: 0.7
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]+	143.15428	128.6
[M+Na]+	165.13622	130.5
[M-H]-	141.13972	131.0
[M+NH4]+	160.18082	146.8
[M+K]+	181.11016	134.3
[M+H-H2O]+	125.14426	121.9
[M+HCOO]-	187.14520	147.2
[M+CH3COO]-	201.16085	179.8
[M+Na-2H]-	163.12167	133.3
[M]+	142.14645	120.1
[M]-	142.14755	120.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.