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 149.2
[M+Na]+ 247.10531 155.6
[M-H]- 223.10881 154.4
[M+NH4]+ 242.14991 167.3
[M+K]+ 263.07925 151.4
[M+H-H2O]+ 207.11335 147.1
[M+HCOO]- 269.11429 176.0
[M+CH3COO]- 283.12994 191.3
[M+Na-2H]- 245.09076 155.4
[M]+ 224.11554 151.3
[M]- 224.11664 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