CID 5488102

65235-31-6

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
2
Annotation Hits

4
References

5199
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 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

literature stripe

Patent stripe

patents stripe