CID 3022412

Einecs 298-344-1

Structural Information

Molecular Formula
C12H20N2O2
SMILES
CC1=C(C=CC(=C1)NCCOCCOC)N
InChI
InChI=1S/C12H20N2O2/c1-10-9-11(3-4-12(10)13)14-5-6-16-8-7-15-2/h3-4,9,14H,5-8,13H2,1-2H3
InChIKey
AOLGFPDCWWJUQJ-UHFFFAOYSA-N
Compound name
4-N-[2-(2-methoxyethoxy)ethyl]-2-methylbenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

224.15248 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.159756 151.6
[M+Na]+ 247.141698 157.7
[M-H]- 223.145204 154.6
[M+NH4]+ 242.186303 169.4
[M+K]+ 263.115638 155.7
[M+H-H2O]+ 207.149740 144.5
[M+HCOO]- 269.150681 177.0
[M+CH3COO]- 283.166331 196.0
[M+Na-2H]- 245.127146 156.2
[M]+ 224.15193142 153.6
[M]- 224.15302858 153.6
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