CID 2817717

2-(ethylamino)-1-(4-nitrophenyl)ethanol

Structural Information

Molecular Formula
C10H14N2O3
SMILES
CCNCC(C1=CC=C(C=C1)[N+](=O)[O-])O
InChI
InChI=1S/C10H14N2O3/c1-2-11-7-10(13)8-3-5-9(6-4-8)12(14)15/h3-6,10-11,13H,2,7H2,1H3
InChIKey
GPYGUPLVSOWCPG-UHFFFAOYSA-N
Compound name
2-(ethylamino)-1-(4-nitrophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

210.10045 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.10773 144.5
[M+Na]+ 233.08967 155.5
[M+NH4]+ 228.13427 151.7
[M+K]+ 249.06361 153.0
[M-H]- 209.09317 147.3
[M+Na-2H]- 231.07512 149.8
[M]+ 210.09990 146.5
[M]- 210.10100 146.5
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