CID 85276

16089-42-2

Structural Information

Molecular Formula

C₁₁H₁₆N₂O

SMILES

COC1=C(C=CC(=C1)N)N2CCCC2

InChI

InChI=1S/C11H16N2O/c1-14-11-8-9(12)4-5-10(11)13-6-2-3-7-13/h4-5,8H,2-3,6-7,12H2,1H3

InChIKey

YVEZBGKUTDESAG-UHFFFAOYSA-N

Compound name

3-methoxy-4-pyrrolidin-1-ylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 192.12627 Da
Monoisotopic Mass: 1.8
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]+	193.13355	143.2
[M+Na]+	215.11549	154.4
[M+NH4]+	210.16009	151.9
[M+K]+	231.08943	149.8
[M-H]-	191.11899	146.9
[M+Na-2H]-	213.10094	149.8
[M]+	192.12572	145.6
[M]-	192.12682	145.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe