CID 10262083

4-methoxy-n,n-dimethyl-2-nitroaniline

Structural Information

Molecular Formula
C9H12N2O3
SMILES
CN(C)C1=C(C=C(C=C1)OC)[N+](=O)[O-]
InChI
InChI=1S/C9H12N2O3/c1-10(2)8-5-4-7(14-3)6-9(8)11(12)13/h4-6H,1-3H3
InChIKey
KSVTUPVNIVTQBR-UHFFFAOYSA-N
Compound name
4-methoxy-N,N-dimethyl-2-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

196.0848 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.09208 139.4
[M+Na]+ 219.07402 146.7
[M-H]- 195.07752 144.9
[M+NH4]+ 214.11862 158.6
[M+K]+ 235.04796 142.9
[M+H-H2O]+ 179.08206 137.7
[M+HCOO]- 241.08300 166.8
[M+CH3COO]- 255.09865 185.2
[M+Na-2H]- 217.05947 146.6
[M]+ 196.08425 140.8
[M]- 196.08535 140.8
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