CID 18316484

720706-20-7

Structural Information

Molecular Formula

C₆H₁₃NO₂

SMILES

C1COCCC1(CO)N

InChI

InChI=1S/C6H13NO2/c7-6(5-8)1-3-9-4-2-6/h8H,1-5,7H2

InChIKey

GICNBHGJGXBSBL-UHFFFAOYSA-N

Compound name

(4-aminooxan-4-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 299
Patents: 131.09464 Da
Monoisotopic Mass: -1.2
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]+	132.101916	127.0
[M+Na]+	154.083858	132.2
[M-H]-	130.087364	129.0
[M+NH4]+	149.128463	148.1
[M+K]+	170.057798	132.5
[M+H-H2O]+	114.091900	122.4
[M+HCOO]-	176.092841	146.6
[M+CH3COO]-	190.108491	168.4
[M+Na-2H]-	152.069306	134.7
[M]+	131.09409142	121.7
[M]-	131.09518858	121.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe