CID 10678383

17144-52-4

Structural Information

Molecular Formula

C₇H₁₅NO₂

SMILES

CC1(OCC(CO1)(C)N)C

InChI

InChI=1S/C7H15NO2/c1-6(2)9-4-7(3,8)5-10-6/h4-5,8H2,1-3H3

InChIKey

HGTTYFKDCTYIIZ-UHFFFAOYSA-N

Compound name

2,2,5-trimethyl-1,3-dioxan-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 145.11028 Da
Monoisotopic Mass: -0.3
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]+	146.117556	128.8
[M+Na]+	168.099498	136.0
[M-H]-	144.103004	133.5
[M+NH4]+	163.144103	151.2
[M+K]+	184.073438	138.3
[M+H-H2O]+	128.107540	125.1
[M+HCOO]-	190.108481	148.6
[M+CH3COO]-	204.124131	175.1
[M+Na-2H]-	166.084946	138.1
[M]+	145.10973142	127.3
[M]-	145.11082858	127.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe