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

551
Patents

212.07971 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.086986 142.1
[M+Na]+ 235.068928 148.6
[M-H]- 211.072434 144.7
[M+NH4]+ 230.113533 159.2
[M+K]+ 251.042868 143.0
[M+H-H2O]+ 195.076970 140.5
[M+HCOO]- 257.077911 167.8
[M+CH3COO]- 271.093561 181.1
[M+Na-2H]- 233.054376 149.9
[M]+ 212.07916142 141.8
[M]- 212.08025858 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