CID 65352720

Cyclopropyl(1,4-dioxan-2-yl)methanamine hydrochloride

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

C1CC1C(C2COCCO2)N

InChI

InChI=1S/C8H15NO2/c9-8(6-1-2-6)7-5-10-3-4-11-7/h6-8H,1-5,9H2

InChIKey

CMGDXLIPLTXFAJ-UHFFFAOYSA-N

Compound name

cyclopropyl(1,4-dioxan-2-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 157.11028 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]+	158.117556	132.9
[M+Na]+	180.099498	138.8
[M-H]-	156.103004	140.6
[M+NH4]+	175.144103	145.6
[M+K]+	196.073438	140.0
[M+H-H2O]+	140.107540	126.0
[M+HCOO]-	202.108481	151.8
[M+CH3COO]-	216.124131	180.6
[M+Na-2H]-	178.084946	139.3
[M]+	157.10973142	131.5
[M]-	157.11082858	131.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.