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 197.3
[M+Na]+ 321.02892 198.6
[M-H]- 297.03242 203.9
[M+NH4]+ 316.07352 203.3
[M+K]+ 337.00286 199.1
[M+H-H2O]+ 281.03696 182.6
[M+HCOO]- 343.03790 207.5
[M+CH3COO]- 357.05355 178.9
[M+Na-2H]- 319.01437 189.3
[M]+ 298.03915 185.5
[M]- 298.04025 185.5
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

patents stripe