CID 3023915

2-(6-methoxy-3-nitro-2-pyridylamino)ethanol

Structural Information

Molecular Formula
C8H11N3O4
SMILES
COC1=NC(=C(C=C1)[N+](=O)[O-])NCCO
InChI
InChI=1S/C8H11N3O4/c1-15-7-3-2-6(11(13)14)8(10-7)9-4-5-12/h2-3,12H,4-5H2,1H3,(H,9,10)
InChIKey
VEAWFIZYHVCIBA-UHFFFAOYSA-N
Compound name
2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

213.07495 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.082226 141.2
[M+Na]+ 236.064168 148.1
[M-H]- 212.067674 142.7
[M+NH4]+ 231.108773 156.9
[M+K]+ 252.038108 142.5
[M+H-H2O]+ 196.072210 138.8
[M+HCOO]- 258.073151 166.0
[M+CH3COO]- 272.088801 180.7
[M+Na-2H]- 234.049616 149.9
[M]+ 213.07440142 141.0
[M]- 213.07549858 141.0
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