CID 75382

2359-46-8

Structural Information

Molecular Formula
C12H20N2O
SMILES
CCN(CC)C1=CC(=C(C=C1)N)OCC
InChI
InChI=1S/C12H20N2O/c1-4-14(5-2)10-7-8-11(13)12(9-10)15-6-3/h7-9H,4-6,13H2,1-3H3
InChIKey
PYBSFPTVHNWRRC-UHFFFAOYSA-N
Compound name
2-ethoxy-4-N,4-N-diethylbenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

208.15756 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.164836 149.2
[M+Na]+ 231.146778 155.6
[M-H]- 207.150284 153.8
[M+NH4]+ 226.191383 168.5
[M+K]+ 247.120718 154.5
[M+H-H2O]+ 191.154820 142.3
[M+HCOO]- 253.155761 174.9
[M+CH3COO]- 267.171411 197.3
[M+Na-2H]- 229.132226 153.1
[M]+ 208.15701142 151.2
[M]- 208.15810858 151.2
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

patents stripe