CID 3022480

4-[2-(2-methoxyethoxy)ethoxy]benzene-1,3-diamine

Structural Information

Molecular Formula
C11H18N2O3
SMILES
COCCOCCOC1=C(C=C(C=C1)N)N
InChI
InChI=1S/C11H18N2O3/c1-14-4-5-15-6-7-16-11-3-2-9(12)8-10(11)13/h2-3,8H,4-7,12-13H2,1H3
InChIKey
GMPUUJWLECIAGZ-UHFFFAOYSA-N
Compound name
4-[2-(2-methoxyethoxy)ethoxy]benzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

226.13174 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.139016 149.9
[M+Na]+ 249.120958 156.4
[M-H]- 225.124464 152.6
[M+NH4]+ 244.165563 167.3
[M+K]+ 265.094898 154.8
[M+H-H2O]+ 209.129000 142.8
[M+HCOO]- 271.129941 175.3
[M+CH3COO]- 285.145591 194.5
[M+Na-2H]- 247.106406 154.2
[M]+ 226.13119142 152.1
[M]- 226.13228858 152.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe