CID 9561283

28050-84-2

Structural Information

Molecular Formula
C11H16N4O2
SMILES
CCC(CC)/C=N/NC1=NC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C11H16N4O2/c1-3-9(4-2)7-13-14-11-6-5-10(8-12-11)15(16)17/h5-9H,3-4H2,1-2H3,(H,12,14)/b13-7+
InChIKey
ADDXFCCKFSVDLB-NTUHNPAUSA-N
Compound name
N-[(E)-2-ethylbutylideneamino]-5-nitropyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.12732 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.13460 152.1
[M+Na]+ 259.11654 157.1
[M-H]- 235.12004 155.5
[M+NH4]+ 254.16114 167.7
[M+K]+ 275.09048 151.5
[M+H-H2O]+ 219.12458 148.6
[M+HCOO]- 281.12552 178.6
[M+CH3COO]- 295.14117 193.9
[M+Na-2H]- 257.10199 159.7
[M]+ 236.12677 151.3
[M]- 236.12787 151.3
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

No patent data available for this compound.