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

2538
Patents

198.06406 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.071336 137.2
[M+Na]+ 221.053278 143.6
[M-H]- 197.056784 138.5
[M+NH4]+ 216.097883 154.1
[M+K]+ 237.027218 137.3
[M+H-H2O]+ 181.061320 135.9
[M+HCOO]- 243.062261 161.6
[M+CH3COO]- 257.077911 175.3
[M+Na-2H]- 219.038726 145.0
[M]+ 198.06351142 134.6
[M]- 198.06460858 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