CID 105736

2,5-diethoxy-n,n-diethylbenzene-1,4-diamine

Structural Information

Molecular Formula
C14H24N2O2
SMILES
CCN(CC)C1=C(C=C(C(=C1)OCC)N)OCC
InChI
InChI=1S/C14H24N2O2/c1-5-16(6-2)12-10-13(17-7-3)11(15)9-14(12)18-8-4/h9-10H,5-8,15H2,1-4H3
InChIKey
ILVYHPABHVLWQB-UHFFFAOYSA-N
Compound name
2,5-diethoxy-1-N,1-N-diethylbenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.18378 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.19106 161.3
[M+Na]+ 275.17300 167.7
[M-H]- 251.17650 165.9
[M+NH4]+ 270.21760 179.0
[M+K]+ 291.14694 166.7
[M+H-H2O]+ 235.18104 154.0
[M+HCOO]- 297.18198 186.5
[M+CH3COO]- 311.19763 206.6
[M+Na-2H]- 273.15845 163.4
[M]+ 252.18323 165.8
[M]- 252.18433 165.8
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