CID 114242

2-(2-methoxyethoxy)-5-nitroaniline

Structural Information

Molecular Formula
C9H12N2O4
SMILES
COCCOC1=C(C=C(C=C1)[N+](=O)[O-])N
InChI
InChI=1S/C9H12N2O4/c1-14-4-5-15-9-3-2-7(11(12)13)6-8(9)10/h2-3,6H,4-5,10H2,1H3
InChIKey
MMCLHWIYWJXPQE-UHFFFAOYSA-N
Compound name
2-(2-methoxyethoxy)-5-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

212.07971 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.086986 142.8
[M+Na]+ 235.068928 149.7
[M-H]- 211.072434 146.3
[M+NH4]+ 230.113533 160.3
[M+K]+ 251.042868 144.6
[M+H-H2O]+ 195.076970 140.9
[M+HCOO]- 257.077911 169.3
[M+CH3COO]- 271.093561 183.1
[M+Na-2H]- 233.054376 149.9
[M]+ 212.07916142 143.3
[M]- 212.08025858 143.3
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