CID 345826

Isovaleraldehyde 2,4-dinitrophenylhydrazone

Structural Information

Molecular Formula
C11H14N4O4
SMILES
CC(C)CC=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C11H14N4O4/c1-8(2)5-6-12-13-10-4-3-9(14(16)17)7-11(10)15(18)19/h3-4,6-8,13H,5H2,1-2H3
InChIKey
MCWYOPWJODIZJK-UHFFFAOYSA-N
Compound name
N-(3-methylbutylideneamino)-2,4-dinitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1015 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.10878 158.1
[M+Na]+ 289.09072 162.2
[M-H]- 265.09422 162.7
[M+NH4]+ 284.13532 172.3
[M+K]+ 305.06466 152.9
[M+H-H2O]+ 249.09876 159.4
[M+HCOO]- 311.09970 185.7
[M+CH3COO]- 325.11535 194.3
[M+Na-2H]- 287.07617 165.6
[M]+ 266.10095 155.5
[M]- 266.10205 155.5
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.