CID 9568083

Isobutyraldehyde 2,4-dinitrophenylhydrazone

Structural Information

Molecular Formula
C10H12N4O4
SMILES
CC(C)/C=N/NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C10H12N4O4/c1-7(2)6-11-12-9-4-3-8(13(15)16)5-10(9)14(17)18/h3-7,12H,1-2H3/b11-6+
InChIKey
WYSDOKPZMGYVGI-IZZDOVSWSA-N
Compound name
N-[(E)-2-methylpropylideneamino]-2,4-dinitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

252.08586 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.09314 153.3
[M+Na]+ 275.07508 157.8
[M-H]- 251.07858 158.0
[M+NH4]+ 270.11968 168.0
[M+K]+ 291.04902 148.8
[M+H-H2O]+ 235.08312 154.8
[M+HCOO]- 297.08406 181.2
[M+CH3COO]- 311.09971 191.3
[M+Na-2H]- 273.06053 161.3
[M]+ 252.08531 150.3
[M]- 252.08641 150.3
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