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
3
Annotation Hits

0
References

2007
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 137.2
[M+Na]+ 221.05328 143.6
[M-H]- 197.05678 138.5
[M+NH4]+ 216.09788 154.1
[M+K]+ 237.02722 137.3
[M+H-H2O]+ 181.06132 135.9
[M+HCOO]- 243.06226 161.6
[M+CH3COO]- 257.07791 175.3
[M+Na-2H]- 219.03873 145.0
[M]+ 198.06351 134.6
[M]- 198.06461 134.6
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