CID 5375781

147764-76-9

Structural Information

Molecular Formula
C12H16N2O2
SMILES
CCN(CC)C1=CC=C(C=C1)/C=C/[N+](=O)[O-]
InChI
InChI=1S/C12H16N2O2/c1-3-13(4-2)12-7-5-11(6-8-12)9-10-14(15)16/h5-10H,3-4H2,1-2H3/b10-9+
InChIKey
AATYCRRVMKWSAC-MDZDMXLPSA-N
Compound name
N,N-diethyl-4-[(E)-2-nitroethenyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

48
Patents

220.12119 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.12847 150.5
[M+Na]+ 243.11041 156.0
[M-H]- 219.11391 155.2
[M+NH4]+ 238.15501 168.5
[M+K]+ 259.08435 150.4
[M+H-H2O]+ 203.11845 148.2
[M+HCOO]- 265.11939 176.9
[M+CH3COO]- 279.13504 189.5
[M+Na-2H]- 241.09586 156.6
[M]+ 220.12064 150.4
[M]- 220.12174 150.4
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.