CID 62158

59820-43-8

Structural Information

Molecular Formula
C10H14N2O5
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])OCCO)NCCO
InChI
InChI=1S/C10H14N2O5/c13-4-3-11-9-2-1-8(12(15)16)7-10(9)17-6-5-14/h1-2,7,11,13-14H,3-6H2
InChIKey
PNENOUKIPPERMY-UHFFFAOYSA-N
Compound name
2-[2-(2-hydroxyethoxy)-4-nitroanilino]ethanol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

4671
Patents

242.09027 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.09755 149.1
[M+Na]+ 265.07949 154.5
[M-H]- 241.08299 150.1
[M+NH4]+ 260.12409 164.1
[M+K]+ 281.05343 148.3
[M+H-H2O]+ 225.08753 147.1
[M+HCOO]- 287.08847 173.1
[M+CH3COO]- 301.10412 183.7
[M+Na-2H]- 263.06494 156.1
[M]+ 242.08972 148.7
[M]- 242.09082 148.7
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