CID 42394

2-nitro-n-hydroxyethyl-p-anisidine

Structural Information

Molecular Formula
C9H12N2O4
SMILES
COC1=CC(=C(C=C1)NCCO)[N+](=O)[O-]
InChI
InChI=1S/C9H12N2O4/c1-15-7-2-3-8(10-4-5-12)9(6-7)11(13)14/h2-3,6,10,12H,4-5H2,1H3
InChIKey
WCBLXRCPLCDWCS-UHFFFAOYSA-N
Compound name
2-(4-methoxy-2-nitroanilino)ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

580
Patents

212.07971 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.08699 142.1
[M+Na]+ 235.06893 148.6
[M-H]- 211.07243 144.7
[M+NH4]+ 230.11353 159.2
[M+K]+ 251.04287 143.0
[M+H-H2O]+ 195.07697 140.5
[M+HCOO]- 257.07791 167.8
[M+CH3COO]- 271.09356 181.1
[M+Na-2H]- 233.05438 149.9
[M]+ 212.07916 141.8
[M]- 212.08026 141.8
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