CID 97558

N-ethyl-5-nitropyridin-2-amine

Structural Information

Molecular Formula
C7H9N3O2
SMILES
CCNC1=NC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C7H9N3O2/c1-2-8-7-4-3-6(5-9-7)10(11)12/h3-5H,2H2,1H3,(H,8,9)
InChIKey
XEGSKOYSJGIUCY-UHFFFAOYSA-N
Compound name
N-ethyl-5-nitropyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

167.06947 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.076746 131.0
[M+Na]+ 190.058688 138.2
[M-H]- 166.062194 133.7
[M+NH4]+ 185.103293 149.2
[M+K]+ 206.032628 132.8
[M+H-H2O]+ 150.066730 128.9
[M+HCOO]- 212.067671 157.2
[M+CH3COO]- 226.083321 175.0
[M+Na-2H]- 188.044136 141.1
[M]+ 167.06892142 129.2
[M]- 167.07001858 129.2
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