CID 117098

Benzenamine, 2,5-dimethoxy-4-(1-pyrrolidinyl)-

Structural Information

Molecular Formula

C₁₂H₁₈N₂O₂

SMILES

COC1=CC(=C(C=C1N)OC)N2CCCC2

InChI

InChI=1S/C12H18N2O2/c1-15-11-8-10(14-5-3-4-6-14)12(16-2)7-9(11)13/h7-8H,3-6,13H2,1-2H3

InChIKey

ZZZKWNDGJQZREU-UHFFFAOYSA-N

Compound name

2,5-dimethoxy-4-pyrrolidin-1-ylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 222.13683 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]+	223.144106	149.8
[M+Na]+	245.126048	156.9
[M-H]-	221.129554	154.9
[M+NH4]+	240.170653	168.3
[M+K]+	261.099988	154.6
[M+H-H2O]+	205.134090	142.3
[M+HCOO]-	267.135031	172.3
[M+CH3COO]-	281.150681	191.0
[M+Na-2H]-	243.111496	151.8
[M]+	222.13628142	148.9
[M]-	222.13737858	148.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe