CID 90615

Ethanol, 2,2'-[(3-nitrophenyl)imino]bis-

Structural Information

Molecular Formula
C10H14N2O4
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])N(CCO)CCO
InChI
InChI=1S/C10H14N2O4/c13-6-4-11(5-7-14)9-2-1-3-10(8-9)12(15)16/h1-3,8,13-14H,4-7H2
InChIKey
CMFNTWPAEFXJIU-UHFFFAOYSA-N
Compound name
2-[N-(2-hydroxyethyl)-3-nitroanilino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1069
Patents

226.09535 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.102626 147.2
[M+Na]+ 249.084568 152.0
[M-H]- 225.088074 149.3
[M+NH4]+ 244.129173 163.3
[M+K]+ 265.058508 146.7
[M+H-H2O]+ 209.092610 145.2
[M+HCOO]- 271.093551 171.5
[M+CH3COO]- 285.109201 183.7
[M+Na-2H]- 247.070016 153.8
[M]+ 226.09480142 146.2
[M]- 226.09589858 146.2
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