CID 114241

2-(2-methoxyethoxy)-4-nitroaniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

212.07971 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.08699 142.7
[M+Na]+ 235.06893 154.4
[M+NH4]+ 230.11353 149.8
[M+K]+ 251.04287 151.9
[M-H]- 211.07243 145.6
[M+Na-2H]- 233.05438 148.0
[M]+ 212.07916 144.8
[M]- 212.08026 144.8
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