CID 104710

1,3-dioxolane-2-methanamine, n-(2,6-dimethylphenyl)-

Structural Information

Molecular Formula

C₁₂H₁₇NO₂

SMILES

CC1=C(C(=CC=C1)C)NCC2OCCO2

InChI

InChI=1S/C12H17NO2/c1-9-4-3-5-10(2)12(9)13-8-11-14-6-7-15-11/h3-5,11,13H,6-8H2,1-2H3

InChIKey

GGNYAVVATITVAW-UHFFFAOYSA-N

Compound name

N-(1,3-dioxolan-2-ylmethyl)-2,6-dimethylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 207.12593 Da
Monoisotopic Mass: 2.3
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]+	208.133206	146.9
[M+Na]+	230.115148	153.4
[M-H]-	206.118654	154.8
[M+NH4]+	225.159753	164.8
[M+K]+	246.089088	153.3
[M+H-H2O]+	190.123190	140.7
[M+HCOO]-	252.124131	169.4
[M+CH3COO]-	266.139781	187.9
[M+Na-2H]-	228.100596	152.2
[M]+	207.12538142	147.4
[M]-	207.12647858	147.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe