CID 27311

2-hexanone, 5,5-dinitro-

Structural Information

Molecular Formula
C6H10N2O5
SMILES
CC(=O)CCC(C)([N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C6H10N2O5/c1-5(9)3-4-6(2,7(10)11)8(12)13/h3-4H2,1-2H3
InChIKey
XVHQQACRUFLHKQ-UHFFFAOYSA-N
Compound name
5,5-dinitrohexan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.05898 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.06626 150.1
[M+Na]+ 213.04820 156.6
[M+NH4]+ 208.09280 159.2
[M+K]+ 229.02214 166.8
[M-H]- 189.05170 145.7
[M+Na-2H]- 211.03365 149.4
[M]+ 190.05843 152.0
[M]- 190.05953 152.0
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.