CID 9561283

Butyraldehyde, 2-ethyl-, (5-nitro-2-pyridyl)hydrazone

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]+ 237.134596 152.1
[M+Na]+ 259.116538 157.1
[M-H]- 235.120044 155.5
[M+NH4]+ 254.161143 167.7
[M+K]+ 275.090478 151.5
[M+H-H2O]+ 219.124580 148.6
[M+HCOO]- 281.125521 178.6
[M+CH3COO]- 295.141171 193.9
[M+Na-2H]- 257.101986 159.7
[M]+ 236.12677142 151.3
[M]- 236.12786858 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.