CID 106472

Einecs 268-310-0

Structural Information

Molecular Formula
C12H20N2O2
SMILES
CCNC1=C(C=C(C(=C1)OCC)N)OCC
InChI
InChI=1S/C12H20N2O2/c1-4-14-10-8-11(15-5-2)9(13)7-12(10)16-6-3/h7-8,14H,4-6,13H2,1-3H3
InChIKey
BTOXMNSTGQCTIZ-UHFFFAOYSA-N
Compound name
2,5-diethoxy-1-N-ethylbenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.15248 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.15976 151.7
[M+Na]+ 247.14170 158.8
[M-H]- 223.14520 155.1
[M+NH4]+ 242.18630 169.8
[M+K]+ 263.11564 156.8
[M+H-H2O]+ 207.14974 144.9
[M+HCOO]- 269.15068 177.1
[M+CH3COO]- 283.16633 197.2
[M+Na-2H]- 245.12715 155.6
[M]+ 224.15193 154.2
[M]- 224.15303 154.2
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.