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]+ 267.108776 158.1
[M+Na]+ 289.090718 162.2
[M-H]- 265.094224 162.7
[M+NH4]+ 284.135323 172.3
[M+K]+ 305.064658 152.9
[M+H-H2O]+ 249.098760 159.4
[M+HCOO]- 311.099701 185.7
[M+CH3COO]- 325.115351 194.3
[M+Na-2H]- 287.076166 165.6
[M]+ 266.10095142 155.5
[M]- 266.10204858 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.