CID 346089

Butyraldehyde 2,4-dinitrophenylhydrazone

Structural Information

Molecular Formula
C10H12N4O4
SMILES
CCCC=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C10H12N4O4/c1-2-3-6-11-12-9-5-4-8(13(15)16)7-10(9)14(17)18/h4-7,12H,2-3H2,1H3
InChIKey
IKGRHEWIFBFXPP-UHFFFAOYSA-N
Compound name
N-(butylideneamino)-2,4-dinitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

252.08586 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.09314 166.1
[M+Na]+ 275.07508 171.7
[M+NH4]+ 270.11968 174.3
[M+K]+ 291.04902 180.6
[M-H]- 251.07858 161.1
[M+Na-2H]- 273.06053 163.5
[M]+ 252.08531 167.3
[M]- 252.08641 167.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe