CID 4197212

2,2,5,5-tetranitro-1,6-hexanediol

Structural Information

Molecular Formula
C6H10N4O10
SMILES
C(CC(CO)([N+](=O)[O-])[N+](=O)[O-])C(CO)([N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C6H10N4O10/c11-3-5(7(13)14,8(15)16)1-2-6(4-12,9(17)18)10(19)20/h11-12H,1-4H2
InChIKey
HZRYMASSDDURDC-UHFFFAOYSA-N
Compound name
2,2,5,5-tetranitrohexane-1,6-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

298.0397 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.04698 165.4
[M+Na]+ 321.02892 169.8
[M+NH4]+ 316.07352 174.1
[M+K]+ 337.00286 180.6
[M-H]- 297.03242 163.2
[M+Na-2H]- 319.01437 164.2
[M]+ 298.03915 167.8
[M]- 298.04025 167.8
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

patents stripe