CID 80015

Bis(dinitropropyl) formal

Structural Information

Molecular Formula
C7H12N4O10
SMILES
CC(COCOCC(C)([N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C7H12N4O10/c1-6(8(12)13,9(14)15)3-20-5-21-4-7(2,10(16)17)11(18)19/h3-5H2,1-2H3
InChIKey
ZQXWPHXDXHONFS-UHFFFAOYSA-N
Compound name
1-(2,2-dinitropropoxymethoxy)-2,2-dinitropropane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

500
Patents

312.05533 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.06261 171.4
[M+Na]+ 335.04455 175.9
[M+NH4]+ 330.08915 180.2
[M+K]+ 351.01849 186.5
[M-H]- 311.04805 169.3
[M+Na-2H]- 333.03000 170.0
[M]+ 312.05478 173.9
[M]- 312.05588 173.9
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