CID 30198

Diglycerol tetranitrate

Structural Information

Molecular Formula
C6H10N4O13
SMILES
C(C(CO[N+](=O)[O-])O[N+](=O)[O-])OCC(CO[N+](=O)[O-])O[N+](=O)[O-]
InChI
InChI=1S/C6H10N4O13/c11-7(12)20-3-5(22-9(15)16)1-19-2-6(23-10(17)18)4-21-8(13)14/h5-6H,1-4H2
InChIKey
SKKBQEZMHMDRLE-UHFFFAOYSA-N
Compound name
[1-(2,3-dinitrooxypropoxy)-3-nitrooxypropan-2-yl] nitrate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

346.02444 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.03172 193.1
[M+Na]+ 369.01366 195.6
[M-H]- 345.01716 200.1
[M+NH4]+ 364.05826 204.4
[M+K]+ 384.98760 195.1
[M+H-H2O]+ 329.02170 169.5
[M+HCOO]- 391.02264 199.7
[M+CH3COO]- 405.03829 190.7
[M+Na-2H]- 366.99911 189.7
[M]+ 346.02389 181.5
[M]- 346.02499 181.5
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.