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

52
Patents

167.06947 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.07675 131.0
[M+Na]+ 190.05869 138.2
[M-H]- 166.06219 133.7
[M+NH4]+ 185.10329 149.2
[M+K]+ 206.03263 132.8
[M+H-H2O]+ 150.06673 128.9
[M+HCOO]- 212.06767 157.2
[M+CH3COO]- 226.08332 175.0
[M+Na-2H]- 188.04414 141.1
[M]+ 167.06892 129.2
[M]- 167.07002 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