CID 12537917

2-((2-hydroxyethyl)amino)-5-nitrophenol

Structural Information

Molecular Formula
C8H10N2O4
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])O)NCCO
InChI
InChI=1S/C8H10N2O4/c11-4-3-9-7-2-1-6(10(13)14)5-8(7)12/h1-2,5,9,11-12H,3-4H2
InChIKey
YUNHBAIHRNIODP-UHFFFAOYSA-N
Compound name
2-(2-hydroxyethylamino)-5-nitrophenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1982
Patents

198.06406 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.07134 138.4
[M+Na]+ 221.05328 149.5
[M+NH4]+ 216.09788 145.1
[M+K]+ 237.02722 147.7
[M-H]- 197.05678 140.5
[M+Na-2H]- 219.03873 143.3
[M]+ 198.06351 140.1
[M]- 198.06461 140.1
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