CID 345825

N-valeraldehyde 2,4-dinitrophenylhydrazone

Structural Information

Molecular Formula
C11H14N4O4
SMILES
CCCCC=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C11H14N4O4/c1-2-3-4-7-12-13-10-6-5-9(14(16)17)8-11(10)15(18)19/h5-8,13H,2-4H2,1H3
InChIKey
XGVOZGLOQUHZBZ-UHFFFAOYSA-N
Compound name
2,4-dinitro-N-(pentylideneamino)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

266.1015 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.10878 158.4
[M+Na]+ 289.09072 162.7
[M-H]- 265.09422 162.9
[M+NH4]+ 284.13532 172.7
[M+K]+ 305.06466 152.9
[M+H-H2O]+ 249.09876 159.5
[M+HCOO]- 311.09970 186.9
[M+CH3COO]- 325.11535 193.8
[M+Na-2H]- 287.07617 167.0
[M]+ 266.10095 156.4
[M]- 266.10205 156.4
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