CID 78269

Benzenamine, n,n-diethyl-2-methoxy-5-nitro-

Structural Information

Molecular Formula
C11H16N2O3
SMILES
CCN(CC)C1=C(C=CC(=C1)[N+](=O)[O-])OC
InChI
InChI=1S/C11H16N2O3/c1-4-12(5-2)10-8-9(13(14)15)6-7-11(10)16-3/h6-8H,4-5H2,1-3H3
InChIKey
VKWWGWYGBUWOOS-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-methoxy-5-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

224.11609 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.123366 149.2
[M+Na]+ 247.105308 155.6
[M-H]- 223.108814 154.4
[M+NH4]+ 242.149913 167.3
[M+K]+ 263.079248 151.4
[M+H-H2O]+ 207.113350 147.1
[M+HCOO]- 269.114291 176.0
[M+CH3COO]- 283.129941 191.3
[M+Na-2H]- 245.090756 155.4
[M]+ 224.11554142 151.3
[M]- 224.11663858 151.3
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