CID 85386

4-nitro-o-phenetidine

Structural Information

Molecular Formula
C8H10N2O3
SMILES
CCOC1=C(C=CC(=C1)[N+](=O)[O-])N
InChI
InChI=1S/C8H10N2O3/c1-2-13-8-5-6(10(11)12)3-4-7(8)9/h3-5H,2,9H2,1H3
InChIKey
OWRHDQKCCXTFFE-UHFFFAOYSA-N
Compound name
2-ethoxy-4-nitroaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

93
Patents

182.06914 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.07642 135.1
[M+Na]+ 205.05836 142.6
[M-H]- 181.06186 138.8
[M+NH4]+ 200.10296 154.0
[M+K]+ 221.03230 137.3
[M+H-H2O]+ 165.06640 133.7
[M+HCOO]- 227.06734 161.7
[M+CH3COO]- 241.08299 177.9
[M+Na-2H]- 203.04381 142.6
[M]+ 182.06859 133.9
[M]- 182.06969 133.9
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