CID 84773600

1780912-57-3

Structural Information

Molecular Formula

C₁₁H₁₇NO₂

SMILES

CNCC1=CC=CC=C1C(OC)OC

InChI

InChI=1S/C11H17NO2/c1-12-8-9-6-4-5-7-10(9)11(13-2)14-3/h4-7,11-12H,8H2,1-3H3

InChIKey

VJEDNKPMJUGKRS-UHFFFAOYSA-N

Compound name

1-[2-(dimethoxymethyl)phenyl]-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 195.12593 Da
Monoisotopic Mass: 0.9
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]+	196.13321	143.8
[M+Na]+	218.11515	150.0
[M-H]-	194.11865	147.3
[M+NH4]+	213.15975	163.1
[M+K]+	234.08909	149.1
[M+H-H2O]+	178.12319	137.3
[M+HCOO]-	240.12413	168.2
[M+CH3COO]-	254.13978	188.2
[M+Na-2H]-	216.10060	149.2
[M]+	195.12538	146.3
[M]-	195.12648	146.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe