CID 43174403

126415-02-9

Structural Information

Molecular Formula

C₁₁H₁₇NO₃

SMILES

COCCOCCOC1=CC=CC(=C1)N

InChI

InChI=1S/C11H17NO3/c1-13-5-6-14-7-8-15-11-4-2-3-10(12)9-11/h2-4,9H,5-8,12H2,1H3

InChIKey

DEOFYPCJGRLJKB-UHFFFAOYSA-N

Compound name

3-[2-(2-methoxyethoxy)ethoxy]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 211.12085 Da
Monoisotopic Mass: 0.5
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]+	212.12813	146.7
[M+Na]+	234.11007	157.6
[M+NH4]+	229.15467	154.2
[M+K]+	250.08401	151.5
[M-H]-	210.11357	148.6
[M+Na-2H]-	232.09552	152.6
[M]+	211.12030	148.6
[M]-	211.12140	148.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe