CID 146050324

2413899-74-6

Structural Information

Molecular Formula

C₆H₁₂ClNO

SMILES

C1COCCC1(CN)Cl

InChI

InChI=1S/C6H12ClNO/c7-6(5-8)1-3-9-4-2-6/h1-5,8H2

InChIKey

SRBNPRZWBAROHV-UHFFFAOYSA-N

Compound name

(4-chlorooxan-4-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 149.06075 Da
Monoisotopic Mass: 0.1
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]+	150.068026	129.6
[M+Na]+	172.049968	135.9
[M-H]-	148.053474	132.7
[M+NH4]+	167.094573	151.6
[M+K]+	188.023908	134.6
[M+H-H2O]+	132.058010	125.7
[M+HCOO]-	194.058951	145.9
[M+CH3COO]-	208.074601	172.8
[M+Na-2H]-	170.035416	137.2
[M]+	149.06020142	126.5
[M]-	149.06129858	126.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.