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

0
Patents

224.11609 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.12337 148.5
[M+Na]+ 247.10531 160.9
[M+NH4]+ 242.14991 156.4
[M+K]+ 263.07925 157.6
[M-H]- 223.10881 152.5
[M+Na-2H]- 245.09076 154.6
[M]+ 224.11554 151.2
[M]- 224.11664 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

No patent data available for this compound.