CID 3022411

93803-70-4

Structural Information

Molecular Formula
C12H20N2O3
SMILES
COCCOCCNC1=CC(=C(C=C1)N)OC
InChI
InChI=1S/C12H20N2O3/c1-15-7-8-17-6-5-14-10-3-4-11(13)12(9-10)16-2/h3-4,9,14H,5-8,13H2,1-2H3
InChIKey
JBVZTNGDRBICPC-UHFFFAOYSA-N
Compound name
2-methoxy-4-N-[2-(2-methoxyethoxy)ethyl]benzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.1474 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.154676 154.1
[M+Na]+ 263.136618 160.1
[M-H]- 239.140124 157.1
[M+NH4]+ 258.181223 171.2
[M+K]+ 279.110558 158.7
[M+H-H2O]+ 223.144660 146.8
[M+HCOO]- 285.145601 179.7
[M+CH3COO]- 299.161251 198.1
[M+Na-2H]- 261.122066 158.9
[M]+ 240.14685142 157.7
[M]- 240.14794858 157.7
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

No patent data available for this compound.