CID 117676

25948-15-6

Structural Information

Molecular Formula
C8H11N3O3
SMILES
CN(CCO)C1=NC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C8H11N3O3/c1-10(4-5-12)8-3-2-7(6-9-8)11(13)14/h2-3,6,12H,4-5H2,1H3
InChIKey
JMCDFZGHBZLEAP-UHFFFAOYSA-N
Compound name
2-[methyl-(5-nitro-2-pyridinyl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

50
Patents

197.08005 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.087326 138.7
[M+Na]+ 220.069268 145.0
[M-H]- 196.072774 141.3
[M+NH4]+ 215.113873 155.5
[M+K]+ 236.043208 140.3
[M+H-H2O]+ 180.077310 136.2
[M+HCOO]- 242.078251 163.8
[M+CH3COO]- 256.093901 180.9
[M+Na-2H]- 218.054716 147.1
[M]+ 197.07950142 137.9
[M]- 197.08059858 137.9
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