CID 67033532

1311254-42-8

Structural Information

Molecular Formula

C₇H₁₅NO₂

SMILES

CC1(COCC(O1)CN)C

InChI

InChI=1S/C7H15NO2/c1-7(2)5-9-4-6(3-8)10-7/h6H,3-5,8H2,1-2H3

InChIKey

WNXXIZJLBHJTQN-UHFFFAOYSA-N

Compound name

(6,6-dimethyl-1,4-dioxan-2-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 145.11028 Da
Monoisotopic Mass: -0.6
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]+	146.11756	130.8
[M+Na]+	168.09950	141.2
[M+NH4]+	163.14410	140.6
[M+K]+	184.07344	134.9
[M-H]-	144.10300	135.5
[M+Na-2H]-	166.08495	136.1
[M]+	145.10973	133.6
[M]-	145.11083	133.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe