CID 207404

3h-azepin-2-amine, 4,5,6,7-tetrahydro-n-(3-methoxypropyl)-, monohydrochloride

Structural Information

Molecular Formula

C₁₀H₂₀N₂O

SMILES

COCCCNC1=NCCCCC1

InChI

InChI=1S/C10H20N2O/c1-13-9-5-8-12-10-6-3-2-4-7-11-10/h2-9H2,1H3,(H,11,12)

InChIKey

DBVMUGFSMIVCTC-UHFFFAOYSA-N

Compound name

N-(3-methoxypropyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 184.15756 Da
Monoisotopic Mass: 0.4
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]+	185.164836	139.0
[M+Na]+	207.146778	141.3
[M-H]-	183.150284	141.2
[M+NH4]+	202.191383	155.7
[M+K]+	223.120718	144.6
[M+H-H2O]+	167.154820	131.7
[M+HCOO]-	229.155761	159.5
[M+CH3COO]-	243.171411	185.6
[M+Na-2H]-	205.132226	144.7
[M]+	184.15701142	134.4
[M]-	184.15810858	134.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.