CID 20336855

697307-13-4

Structural Information

Molecular Formula

C₁₀H₁₆N₂O

SMILES

CN(C)CC1=CC(=C(C=C1)OC)N

InChI

InChI=1S/C10H16N2O/c1-12(2)7-8-4-5-10(13-3)9(11)6-8/h4-6H,7,11H2,1-3H3

InChIKey

SSLQLVCHGHMQJJ-UHFFFAOYSA-N

Compound name

5-[(dimethylamino)methyl]-2-methoxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 180.12627 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]+	181.13355	139.9
[M+Na]+	203.11549	147.2
[M-H]-	179.11899	144.9
[M+NH4]+	198.16009	160.3
[M+K]+	219.08943	146.6
[M+H-H2O]+	163.12353	133.5
[M+HCOO]-	225.12447	166.3
[M+CH3COO]-	239.14012	191.2
[M+Na-2H]-	201.10094	144.9
[M]+	180.12572	141.1
[M]-	180.12682	141.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe