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

literature stripe

Patent stripe

patents stripe