CID 10464700

3-methoxy-2-nitroaniline

Structural Information

Molecular Formula
C7H8N2O3
SMILES
COC1=CC=CC(=C1[N+](=O)[O-])N
InChI
InChI=1S/C7H8N2O3/c1-12-6-4-2-3-5(8)7(6)9(10)11/h2-4H,8H2,1H3
InChIKey
RITQAMSEQYWFML-UHFFFAOYSA-N
Compound name
3-methoxy-2-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

143
Patents

168.0535 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.060776 130.2
[M+Na]+ 191.042718 138.2
[M-H]- 167.046224 134.1
[M+NH4]+ 186.087323 149.7
[M+K]+ 207.016658 133.1
[M+H-H2O]+ 151.050760 129.1
[M+HCOO]- 213.051701 157.2
[M+CH3COO]- 227.067351 174.8
[M+Na-2H]- 189.028166 138.3
[M]+ 168.05295142 128.7
[M]- 168.05404858 128.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe