CID 5488102

4-((2-hydroxyethyl)amino)-3-nitrophenol

Structural Information

Molecular Formula
C8H10N2O4
SMILES
C1=CC(=C(C=C1O)[N+](=O)[O-])NCCO
InChI
InChI=1S/C8H10N2O4/c11-4-3-9-7-2-1-6(12)5-8(7)10(13)14/h1-2,5,9,11-12H,3-4H2
InChIKey
UXKLYBMQAHYULT-UHFFFAOYSA-N
Compound name
4-(2-hydroxyethylamino)-3-nitrophenol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

4
References

5549
Patents

198.06406 Da
Monoisotopic Mass

1.3
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

literature stripe

Patent stripe

patents stripe