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: 9
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	151.3
[M+NH4]+	198.16009	148.5
[M+K]+	219.08943	145.4
[M-H]-	179.11899	143.5
[M+Na-2H]-	201.10094	146.6
[M]+	180.12572	142.4
[M]-	180.12682	142.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe